O - Theory Department of the FHI - Max-Planck-Gesellschaft

Division Surface Physics (O) Overview
Invited Talks
Division Surface Physics (O)
Matthias Scheffler
Fritz-Haber-Institut der MPG
http://www.fhi-berlin.mpg.de/th/th.html
scheffler@fhi-berlin.mpg.de
Overview of Invited Talks and Sessions
Lecture Rooms: A 053, A 151, HE 101, MA 005, MA 041, MA 042, MA 043, and MA 141
Poster Rooms: MA 141/144 (called Poster F area)
PV I Mon 8:30– 9:15 H 0105 The Interior of Single Molecules — •Wilson Ho
O 2.1 Mon 9:30–10:15 HE 101 The Perfect Lens: Resolution Beyond the Limits of Wavelength
— •John Pendry
O 3.1 Mon 10:15–11:00 HE 101 Graphene Single Electron Transistors — Christoph Stampfer,
Francoise Molitor, Johannes Güttinger, Thomas Ihn,
•Klaus Ensslin
O 16.1 Mon 17:00–17:45 HE 101 The Surfaces of Bulk Semiconducting Metal Oxides — •Ulrike
Diebold
O 17.1 Mon 17:45–18:30 HE 101 Charge-Density Waves and Superconductivity in Two Dimensions:
The ARPES View — •Sergey Borisenko
PV III Mon 20:00–21:00 Urania/H 0105 Reaktionen an Festkörper-Oberflächen: Vom Atomaren zum
Komplexen — •Gerhard Ertl
O 21.1 Tue 9:30–10:15 HE 101 Electrons at Surfaces Taking an Unexpected Turn — •Stefan
Blügel
O 22.1 Tue 10:15–11:00 HE 101 Adsorption Processes on SiC Surfaces: First-Principles Theory
— •Johannes Pollmann
O 41.1 Tue 17:00–17:45 HE 101 Nonadiabatic Processes in Surface Femtochemistry at Metals
— •Christian Frischkorn
O 42.1 Tue 17:45–18:30 HE 101 Lateral Interactions on Surfaces: An Empirical Perspective
— •Gil Alexandrowicz, Pepijn R. Kole, Everett Y. M. Lee,
Holly Hedgeland, Riccardo Ferrando, Andrew P. Jardine,
William Allison, John Ellis
PV VI Wed 8:30– 9:15 H 0105 Graphene: Exploring Carbon Flatland — •Andre Geim
O 47.1 Wed 14:15–15:00 HE 101 Ab Initio Treatment of Strongly Correlated Electron Materials
— •Emily Carter
PV VIII Wed 20:00–21:00 Urania/H 0105 Vom Riesenmagnetowiderstand zur Computerfestplatte —
•Peter Grünberg
O 79.1 Thu 17:45–18:30 HE 101 Bonding, Structure and Function of Highly Ordered Molecular
Adsorbate Layers on Metal Surfaces — •Stefan Tautz
O 80.1 Thu 18:30–19:15 HE 101 Imaging Quantum Phase Information Using Isospectral Electronic
Nanostructures — •Hari Manoharan
O 96.1 Fri 14:00–14:45 HE 101 Electrochemical Surface Science — •Klaus Wandelt
O 97.1 Fri 14:45–15:30 HE 101 Energetics of Metal Atom Adsorption on Surfaces of Oxides
and Polymers — •Charles Campbell
Sessions
O 1 Mon 8:30– 9:15 H 0105 Plenary Talk Wilson Ho
O 2 Mon 9:30–10:15 HE 101 Invited Talk John Pendry

Division Surface Physics (O) Overview
O 3 Mon 10:15–11:00 HE 101 Invited Talk Klaus Ensslin
O 4.1–4.5 Mon 11:15–12:30 MA 042 Nanostructures at Surfaces
O 5.1–5.6 Mon 11:15–12:45 MA 043 Magnetic Nanostructures
O 6.1–6.7 Mon 11:15–13:00 MA 005 Metal Substrates: Clean Surfaces
O 7.1–7.7 Mon 11:15–13:45 HE 101 Symposium: Atomic Wires at Surfaces I
(Invited Speakers: Franz Himpsel, Hanno Weitering, Han
Woong Yeom)
O 8.1–8.11 Mon 12:00–14:45 MA 041 Metal Substrates: Adsorption of Organic/Bio Molecules I
O 9 Mon 13:00–13:45 H 0105 Plenary Talk Sankar Das Sarma
O 10.1–10.14 Mon 13:15–16:45 MA 042 Semiconductor Substrates: Epitaxy and Growth
O 11.1–11.6 Mon 13:30–15:00 MA 043 Time-Resolved Spectroscopy I
O 12.1–12.9 Mon 13:30–16:45 MA 005 Symposium: Size-Selected Clusters at Surfaces I
(Invited Speakers: Karl-Heinz Meiwes-Broer, Heinz
Hövel, Thorsten Bernhardt)
O 13.1–13.10 Mon 14:00–16:30 HE 101 Heterogeneous Catalysis
O 14.1–14.6 Mon 15:15–16:45 MA 043 Surface or Interface Magnetism
O 15.1–15.5 Mon 15:30–16:45 MA 041 Methods: Other Experimental Techniques I
O 16 Mon 17:00–17:45 HE 101 Invited Talk Ulrike Diebold
O 17 Mon 17:45–18:30 HE 101 Invited Talk Sergey Borisenko
O 18.1–18.80 Mon 18:30–19:30 Poster F Poster Session I - MA 141/144 (Atomic Wires;
Size-Selected Clusters; Nanostructures; Metal Substrates:
Clean Surfaces+Adsorption of Organic /
Bio Molecules+Solid-Liquid Interfaces+Adsorption of O
and/or H; Surface or Interface Magnetism; Oxides and
Insulators: Clean Surfaces)
O 19 Mon 20:00–21:00 Urania/H 0105 Evening Talk Gerhard Ertl
O 20 Tue 8:30– 9:15 H 0105 Plenary Talk James Hudspeth
O 21 Tue 9:30–10:15 HE 101 Invited Talk Stefan Blügel
O 22 Tue 10:15–11:00 HE 101 Invited Talk Johannes Pollmann
O 23 Tue 10:30–13:15 A 151 SYNF: Ferroic Materials and Novel Functionalities I
(FV: MA+O+MM+DF+DS+HL+TT)
O 24 Tue 9:30–10:45 H 0105 SYSA: Tayloring Organic Interfaces: Molecular Structures
and Applications I
(Invited Speaker: Fernando Flores; FV:
DS+CPP+HL+O)
O 25 Tue 10:45–13:00 H 0105 SYSA: Tayloring Organic Interfaces: Molecular Structures
and Applications II (Invited Speakers: Norbert
Koch, Antoine Kahn; FV: DS+CPP+HL+O)
O 26.1–26.5 Tue 11:15–12:30 MA 042 Methods: Electronic Structure Theory
O 27.1–27.6 Tue 11:15–12:45 MA 043 Time-Resolved Spectroscopy II
O 28.1–28.4 Tue 11:15–13:00 MA 005 Symposium: Size-Selected Clusters at Surfaces II
(Invited Speakers: Steven Buratto, Stefan Vajda,
Matthias Arenz)
O 29.1–29.6 Tue 11:15–13:30 HE 101 Symposium: Surface Spectroscopy on Kondo Systems I
(Invited Speakers: Wolf-Dieter Schneider, Fakher Assaad,
Serguei Molodtsov)
O 30.1–30.8 Tue 12:00–14:00 MA 041 Phenomena at Semiconductor Surfaces
O 31 Tue 13:00–13:45 H 0105 Prize Talk Bernard Barbara (Gentner-Kastler Prize)
O 32.1–32.15 Tue 13:00–16:45 MA 042 Oxides and Insulators: Clean Surfaces
O 33.1–33.7 Tue 13:45–16:15 MA 005 Symposium: Frontiers of Surface Sensitive Electron Microscopy
I (Invited Speakers: James Hannon, Raoul van
Gastel, Thomas Schmidt)
O 34.1–34.11 Tue 13:45–16:30 MA 043 Metal Substrates: Adsorption of Organic/Bio Molecules
II
O 35.1–35.7 Tue 14:00–16:45 HE 101 Symposium: Atomic Wires at Surfaces II
(Invited Speakers: Erio Tosatti, Serge Lemay, Shuji
Hasegawa)
O 36.1–36.10 Tue 14:15–16:45 MA 041 Surfaces and Films: Forces, Structure and Manipulation

Division Surface Physics (O) Overview
O 37 Tue 14:30–17:30 A 151 SYNF: Ferroic Materials and Novel Functionalities II (Invited
Speakers: Jochen Mannhart, Warren Pickett, Yoshinori
Tokura, Ramamoorthy Ramesh, Agnes Barthelemy,
Evgeny Tsymbal; FV: MA+O+MM+DF+DS+HL+TT)
O 38 Tue 14:30–16:30 H 2013 SYSA: Tayloring Organic Interfaces: Molecular Structures
and Applications III (Invited Speaker: Alberto
Salleo; FV: DS+CPP+HL+O)
O 39 Tue 14:30–20:00 Poster A SYSA: Tayloring Organic Interfaces: Molecular
Structures and Applications IV (Poster; FV:
DS+CPP+HL+O)
O 40 Tue 16:30–18:30 H 2013 SYSA: Tayloring Organic Interfaces: Molecular Structures
and Applications V (Invited speaker: Henning Sirringhaus;
FV: DS+CPP+HL+O)
O 41 Tue 17:00–17:45 HE 101 Invited Talk Christian Frischkorn
O 42 Tue 17:45–18:30 HE 101 Invited Talk Gil Alexandrowicz
O 43.1–43.46 Tue 18:30–19:30 Poster F Poster Session II - MA 141/144 (Surface Spectroscopy
on Kondo Systems; Frontiers of Surface Sensitive
Electron Microscopy; Methods: Scanning Probe
Techniques+Electronic Structure Theory+Other; Time-
Resolved Spectroscopy of Surface Dynamics with EUV
and XUV Radiation; joint by SYNF posters)
O 44 Wed 8:30– 9:15 H 0105 Plenary Talk André Geim
O 45 Wed 9:15–10:00 H 0105 Plenary Talk Knut Urban
O 46 Wed 13:30–14:15 HE 101 Invited Talk Stefan Mayr (Gaede Prize)
O 47 Wed 14:15–15:00 HE 101 Invited Talk Emily Carter
O 48 Wed 14:30–17:30 H 2013 SYSA: Tayloring Organic Interfaces: Molecular Structures
and Applications VI (Invited Speaker: Ivan Stich;
FV: DS+CPP+HL+O)
O 49.1–49.10 Wed 15:15–17:45 MA 005 Particles and Clusters
O 50.1–50.8 Wed 15:15–18:00 HE 101 Symposium: Surface Spectroscopy on Kondo Systems II
(Invited Speakers: Jonathan Denlinger, Johann Kroha,
Alexander Schneider)
O 51.1–51.13 Wed 15:15–18:30 MA 041 Metal Substrates: Adsorption of Organic/Bio Molecules
III
O 52.1–52.13 Wed 15:15–18:30 MA 042 Time-Resolved Spectroscopy III
O 53.1–53.13 Wed 15:15–18:30 MA 043 Surface Nanopatterns
O 54 Wed 17:45–19:30 H 2013 SYSA: Tayloring Organic Interfaces: Molecular Structures
and Applications VII (Invited Speaker: Stephan
Roth; FV: DS+CPP+HL+O)
O 55.1–55.77 Wed 18:30–19:30 Poster F Poster Session III - MA 141/144 (Methods: Atomic
and Electronic Structure; Particles and Clusters; Heterogeneous
Catalysis; Semiconductor Substrates: Epitaxy
and Growth+Adsorption+Clean Surfaces+Solid-Liquid
Interfaces; Oxides and Insulators: Solid-Liquid Interfaces+Epitaxy
and Growth; Phase Transitions; Metal
Substrates: Adsorption of Inorganic Molecules+Epitaxy
and Growth; Surface Chemical Reactions; Bimetallic
Nanosystems: Tuning Physical and Chemical Properties;
Oxides and insulators: Adsorption; Organic, polymeric,
biomolecular films; etc.)
O 56 Wed 20:00–21:00 Urania/H 0105 Evening Talk Peter Grünberg
O 57 Thu 8:30– 9:15 H 0105 Plenary Talk Helmut Grubmüller
O 58.1–58.4 Thu 9:30–11:00 HE 101 Symposium: Beyond Optical Wavelengths: Time-
Resolved Spectroscopy of Surface Dynamics with EUV
and XUV Radiation I (Invited Speakers: Reinhard Kienberger,
Martin Aeschlimann)
O 59.1–59.10 Thu 9:30–12:00 MA 041 Molecular Nanostructures
O 60.1–60.8 Thu 9:30–12:15 MA 005 Symposium: Bimetallic Nanosystems: Tuning Physical
and Chemical Properties I (Invited Speakers: Harald
Brune, Michael Hilgendorff, Konstantin Neyman)

Division Surface Physics (O) Overview
O 61 Thu 9:30–12:30 A 151 SYEC: Exact-Exchange and Hybrid Functionals Meet
Quasiparticle Energy Calculations I (Invited Speakers:
Gustavo Scuseria, Andreas Görling, Georg Kresse, Angel
Rubio, Mark van Schilfgaarde, Michael Rohlfing; FV:
O+HL+DF+TT)
O 62.1–62.12 Thu 9:30–12:30 MA 042 Metal Substrates: Adsorption of Inorganic Molecules
O 63.1–63.8 Thu 9:30–12:30 MA 043 Symposium: Frontiers of Surface Sensitive Electron Microscopy
II (Invited Speakers: Jürgen Kirschner, Liviu
Chelaru, Michael Bauer, Claus Schneider)
O 64.1–64.6 Thu 11:15–12:45 HE 101 Metal Substrates: Adsorption of Organic/Bio Molecules
IV
O 65.1–65.11 Thu 12:00–14:45 MA 141 Methods: Theory and Experiment
O 66.1–66.10 Thu 12:45–15:15 MA 041 Metallic Nanostructures I (on Metals)
O 67 Thu 13:00–13:45 H 0105 Prize Talk Fedor Jelezko (Walter Schottky Prize)
O 68.1–68.6 Thu 13:15–14:45 MA 043 Oxides and Insulators: Adsorption I
O 69.1–69.4 Thu 14:00–15:00 MA 042 Symposium: Size-Selected Clusters at Surfaces III
O 70 Thu 14:00–17:00 A 151 SYMS: Modern Developments in Multiphysics Materials
Simulations I (Invited Speakers: David Pettifor, Alessandro
De Vita, Chris Wolverton, Ingo Steinbach, Walter
Thiel, Karsten Reuter; FV: O+HL+MM)
O 71 Thu 14:00–17:00 A 053 SYEC: Exact-Exchange and Hybrid Functionals
Meet Quasiparticle Energy Calculations II (FV:
O+HL+DF+TT)
O 72.1–72.8 Thu 14:00–17:00 HE 101 Symposium: Beyond Optical Wavelengths: Time-
Resolved Spectroscopy of Surface Dynamics with EUV
and XUV Radiation II (Invited Speakers: Wilfried Wurth,
Hermann Dürr, Shik Shin)
O 73.1–73.10 Thu 14:00–17:30 MA 005 Symposium: Bimetallic Nanosystems: Tuning Physical
and Chemical Properties II (Invited Speakers: André
Fielicke, Thomas Risse, Jürgen Behm)
O 74.1–74.9 Thu 15:00–17:15 MA 141 Metal Substrates: Adsorption of O and/or H
O 75.1–75.8 Thu 15:15–17:15 MA 042 Oxides and Insulators: Epitaxy and Growth
O 76.1–76.9 Thu 15:15–17:30 MA 043 Organic, Polymeric, Biomolecular Films - also with Adsorbates
O 77.1–77.8 Thu 15:30–17:30 MA 041 Methods: Scanning Probe Techniques I
O 78 Thu 17:00–18:30 H 2032 SYSA: Tayloring Organic Interfaces: Molecular Structures
and Applications VIII (Invited Speaker: Tomasz
Kowalewski; FV: DS+CPP+HL+O)
O 79 Thu 17:45–18:30 HE 101 Invited Talk Stefan Tautz
O 80 Thu 18:30–19:15 HE 101 Invited Talk Hari Manoharan
O 81 Thu 18:30–19:30 Poster F Poster Session IV - MA 141/144: SYMS II and SYEC III
(Modern Developments in Multiphysics Materials Simulations;
Exact-Exchange and Hybrid Functionals Meet
Quasiparticle Energy Calculations)
O 82 Thu 19:30–20:00 HE 101 General Meeting of the Surface Science Division
O 83 Thu 20:00–21:00 HE 101 Post Deadline Session (followed by Surface Science Symposion)
O 84 Fri 8:30– 9:15 H 0105 Plenary Talk Wolfgang Kleemann
O 85 Fri 9:15–10:00 H 0105 Prize Talk Hagen Kleinert (Max Born Prize)
O 86.1–86.7 Fri 9:30–11:15 MA 141 Oxides and Insulators: Adsorption II
O 87.1–87.7 Fri 9:30–12:00 HE 101 Symposium: Beyond Optical Wavelengths: Time-
Resolved Spectroscopy of Surface Dynamics with EUV
and XUV Radiation III (Invited Speakers: Christian
Spielmann, Matias Bargheer, Philippe Wernet)
O 88.1–88.12 Fri 9:30–12:30 MA 005 Metallic Nanostructures II (on Semiconductors)
O 89.1–89.12 Fri 9:30–12:30 MA 041 Metal Substrates: Epitaxy and Growth
O 90.1–90.7 Fri 10:15–12:00 MA 042 Methods: Scanning Probe Techniques II
O 91 Fri 10:15–12:30 A 151 SYEC: Exact-Exchange and Hybrid Functionals
Meet Quasiparticle Energy Calculations IV (FV:
O+HL+DF+TT)

Division Surface Physics (O) Overview
O 92 Fri 10:15–13:00 A 053 SYMS: Modern Developments in Multiphysics Materials
Simulations III (FV: O+HL+MM)
O 93.1–93.11 Fri 10:15–13:00 MA 043 Surface Chemical Reactions
O 94.1–94.5 Fri 12:00–13:15 MA 141 Methods: Other Experimental Techniques II
O 95 Fri 13:15–14:00 H 0105 Special Talk Theodore Postol
O 96 Fri 14:00–14:45 HE 101 Invited Talk Klaus Wandelt
O 97 Fri 14:45–15:30 HE 101 Invited Talk Charles Campbell
Evening Talks by Nobel Laureates 2007
Monday, 8:00 p.m., Urania Gerhard Ertl
Wednesday, 8:00 p.m., Urania Peter Grünberg
Urania is best reached by subway U1 from Ernst-Reuter-Platz to Wittenbergplatz (just a 4 min. train ride + 8 min. walk).
Both lectures will also be presented in a live broadcast in H 0105.
Annual General Meeting of the Surface Science Division
Thursday, 7:30 p.m., HE 101
• Report of the Chairman of the DPG Surface Science Division
• Miscellaneous
NOTES
Poster Sessions O18 (Monday), O43 (Tuesday), O55 (Wednesday), and O81 (Thursday) at 6:30-7:30 p.m. in MA 141/144
(Poster F area) - Posters should be put up between 10:00 and 11:00 a.m. and must be removed before 10:00 a.m. on the
following day. The poster presenter should be present at the poster between 6:30 and 7:30 p.m.
Post Deadline Session O83 on Thursday, 8:00-9:00 p.m., in HE 101, followed by the Surface Science Symposion at
the Alte Mensa, Hardenbergstraße 34.
Deadline for submission of abstracts is January 11, 2008; Notification on acceptance will be on February 4, 2008. Support
from Elsevier (Surface Science), SPECS together with Bestec, Createc Fischer, and Surface Concept, and from IBM is
gratefully acknowledged.

O 1: Plenary Talk Wilson Ho
Monday
Time: Monday 8:30–9:15 Location: H 0105
The Interior of Single Molecules
O 2: Invited Talk John Pendry
Time: Monday 9:30–10:15 Location: HE 101
Invited Talk O 2.1 (23) Mon 9:30 HE 101
The Perfect Lens: Resolution Beyond the Limits of Wavelength
— •John Pendry — Imperial College London
The lens is one of the most basic tools of optics but the resolution
achieved is limited, as if the wavelength of light defined the width of
a pencil used to draw the images. This limit intrudes in all kinds of
ways. For example it defines the storage capacity of DVDs where the
laser can only *see* details of the order of the wavelength.
Two types of light are associated with a luminous object: the near
field and the far field. True to its name the far field escapes from the
object and is easily captured and manipulated by a lens, but high resolution
details are hidden in the near field and remain localised near
O 3: Invited Talk Klaus Ensslin
the source and cannot be captured by a conventional lens. The near
field is familiar to surface scientists in the form of surface plasmons,
for example. To control the near field we have developed a new class
of materials with properties not found in nature. These new materials
derive their properties not from the atomic and molecular constituents
of the solid, but from microstructure which can be designed to give a
wide range of novel electromagnetic properties.
The lecture will describe the new materials and the principles behind
them and show how they may be used to control and manipulate
the near field. Finally a prescription will be given for a lens whose resolution
is unlimited by wavelength provided that the ideal prescription
for the constituent materials is met.
Time: Monday 10:15–11:00 Location: HE 101
Invited Talk O 3.1 (11) Mon 10:15 HE 101
Graphene Single Electron Transistors — Christoph Stampfer,
Francoise Molitor, Johannes Güttinger, Thomas Ihn, and
•Klaus Ensslin — Solid State Physics Lab, ETH Zurich, Switzerland
Graphene flakes are patterned into nanostructures using electron beam
lithography and dry etching. A mesoscopic Hall bar is investigated by
O 4: Nanostructures at Surfaces
low-temperature magnetotransport experiments. The potential inside
the Hall bar is tuned by graphene side gates. We demonstrate that
the carrier density can be tuned over typical lateral distances of 90
nm. This way a tunable graphene single electron transistor is realized.
Clear conductance resonances and Coulomb diamonds are resolved at
a temperature of T=2 K. We present data for several graphene single
electron transistors and discuss the tunability of the tunnel barriers as
well as the overall electronic configuration of the device.
Time: Monday 11:15–12:30 Location: MA 042
O 4.1 (534) Mon 11:15 MA 042
Dynamic processes in metalorganic networks based on
oligopyridines and copper — •Achim Breitruck 1 , Harry E.
Hoster 1 , Christoph Meier 2 , Ulrich Ziener 2 , and R. Jürgen
Behm 1 — 1 Institute of Surface Chemistry and Catalysis, Ulm University,
D-89069 Ulm — 2 Institute of Organic Chemistry III, Ulm
University, D-89069 Ulm
We report on the dynamics of chiral metalorganic networks on the basis
of Bis-terpyridines (BTP) and copper which were studied by timeresolved
scanning tunneling microscopy (STM). Using highly oriented
pyrolytic graphite (HOPG) as substrate, the samples were prepared
by vapor deposition of oligopyridines to form a quadratic 2D molecular
network [1] and post-deposition of copper under ultra high vacuum
(UHV) conditions. At Cu coverages below phase saturation, we observed
the formation of an Cu-organic network, consisting of copperfree
and copper-containing BTP trimers. At room temperature, this
allows the migration of Cu atoms within the network via a hopping
mechanism from Cu-containing to Cu-free trimers on a timescale of
seconds. The mechanism is accompanied by a local rearrangement of
the BTP molecules. Despite the high adlayer dynamics, we find very
large enantiopure domains with sizes > 10 4 nm 2 .
[1] H.E. Hoster et al., Langmuir 23, 11570-11579, (2007)
[2] A. Breitruck et al., Surf. Sci. 601, 4200-4205, (2007)
O 4.2 (542) Mon 11:30 MA 042
Mid infrared microspectroscopy: Characterization od
diamond-like (DL) and polymer-like (PL) single nanoparticle
— •Jean-Sébastien Samson 1 , Raphaella Weiss 2 , Erik
Bründermann 1 , Jörg Winter 2 , and Martina Havenith 1 —
1 Physical Chemistry 2, Ruhr-University Bochum, Bochum, Germany
— 2 Experimental Physics 1, Ruhr-University Bochum, Bochum, Germany
We report on the infrared spectroscopic characterization of plasma
nanoparticles formed in a dusty plasma by scanning near-field infrared
microscopy (SNIM). We use high power OPO-lasers with up to 2,7
W output power as radiation source [1] which emit in the so-called
fingerprint region (2,5-4 um). We were able to use the characteristic
N-H absorption band around 3300 cm-1 to spectrally resolve a shift
of the band between the diamond-like and the polymer-like phase.
The measurement were carried out on a sample containing 100 nm
diamond-like and 400 nm polymer-like plasma nanoparticles. Our results
demonstrate the high sensitivity of SNIM for characterization of
nanoparticles found in plasma. [1]J.-S. Samson et al. PCCP, (2006),
8, 753-758
O 4.3 (121) Mon 11:45 MA 042
Nanostructuring of the HOPG surface — •Artur Böttcher 1 ,
Markus Cudaj 1 , Daniel Löffler 1 , Sharali Malik 2 , Manfred
Kappes 1,2 , Patrice Brenner 3 , and Dagmar Gerthsen 3 — 1 Institut
für Physikalische Chemie, Universität Karlsruhe, Karlsruhe, Germany
— 2 Institut für Nanotechnologie, Forschungszentrum Karlsruhe, Germany
— 3 Laboratorium für Elektronenmikroskopie, Universität Karlsruhe,
Germany
By combining the focused ion beam technique, 30keV-Ga + -FIB, with
high-temperature oxidation well defined periodic structures were fabricated
on HOPG surfaces [1]. The method exploits the high reactivity
of the amorphous surface areas towards the oxidation-induced gasification
of undercoordinated carbon sites, C→CO, CO2. Large surface
areas covered by periodically arranged nanocavities, gratings and arrays
of nm-sized squares have been fabricated routinely. The minimum

width of the grooves written is limited by the interaction of the ion
beam with the substrate and levels presently off at 80 nm. The mean
depth of the grooves can be easily varied in the range up to 55 nm
by applying different ionic doses. These parameters enable to fabricate
large arrays of nanographene plates with desired size and shape.
Two stages are clearly distinguishable in the kinetics of the etching
process: within the early stage the amorphous carbon is removed and
in the later stage the prism surfaces of the regular graphite are gradually
gasified with lower efficiency. The integral removal probability
depends on the surface temperature and ranges from 10 −11 to 10 −8
C/O2. [1] A. Böttcher et al. Nanotechnology, 17(2006)
O 4.4 (412) Mon 12:00 MA 042
Effect of HF concentration on physical and electronic properties
of electrochemical formed nano-porous silicon —
•Pushpendra Kumar 1 , Manash Ghosh 1 , Hongdan Yan 1 , Frank
Ludwig 2 , Meinhard Schilling 2 , and Peter Lemmens 1 — 1 IPKM,
TU-Braunschweig — 2 EMG, TU-Braunschweig
We report on the preparation and functionalization of porous silicon
(PS) using electrochemical etching in hydrofluoric (HF) acid based so-
O 5: Magnetic Nanostructures
Monday
lutions. The properties of PS such as thickness of the porous layer,
porosity and average pore diameter are precisely controlled and characterized
using optical absorption, nitrogen sorption isotherms, field
emission SEM, Raman and PL spectroscopy. Functionalization was
performed by oxidizing and subsequent doping with different dyes and
magnetic molecules.
O 4.5 (413) Mon 12:15 MA 042
Preparation and functionalization of porous anodic aluminum
oxide templates — •Hongdan Yan 1 , Seth White 1 , Pushpendra
Kumar 1 , Peter Lemmens 1 , and Pengxiang Zhang 2 — 1 IPKM,TU-
Braunschweig — 2 IAMPE, Kunming University of Science and Technology,
Yunnan, China
We report on the preparation of porous anodic aluminum oxide templates
(AAO) and their functionalization/modification. AAO with
nanoporous morphology is a well controlled template material due to
the high density and uniformity of nano pores. Free standing, transparent
membranes have been prepared and doped with dyes, magnetic
molecules. Ni and Fe nano-wires have been grown within the pores by
electrodeposition.
Time: Monday 11:15–12:45 Location: MA 043
O 5.1 (666) Mon 11:15 MA 043
Probing the surface states of single atoms on cobalt nanoislands
— •Laurent Limot 1 , Benjamin Heinrich 1 , Mircea-Vasile
Rastei 1 , Cristian Iacovita 1 , Pavel A. Ignatiev 2 , Valeri S.
Stepanyuk 2 , Patrick Bruno 2 , and Jean-Pierre Bucher 1 —
1 Institut de Physique et Chimie des Matériaux de Strasbourg, UMR
7504, Université Louis Pasteur, F-67034 Strasbourg, France — 2 Max-
Planck-Institut für Mikrostrukturphysik, D-06120 Halle/Saale, Germany
With the remarkable downscaling of data-storage bits, both writing
and reading processes become extremely challenging, since read sensors
need to be comparable to the bit size, and at the same time, their
sensitivity must be improved due to the loss in signal-to-noise ratio.
Future progress strongly relies on our fundamental understanding of
magnetic phenomena in reduced dimensions.
Atoms on magnetic nanoislands represent a model playground for investigating
such phenomena. In this study, we focus on the electronic
properties of single Ni, Cu and Co atoms adsorbed on cobalt nanoislands
grown on the Cu(111) surface. By combining low-temperature
scanning tunneling spectroscopy with ab initio calculations we reveal
the existence of a common electronic resonance, resulting from the localization
of the nanoisland surface states at the adsorption site of the
atoms.
O 5.2 (537) Mon 11:30 MA 043
Tailoring exchange interactions between magnetic adatoms in
engeneered nanostructures: ab initio study — •Pavel A. Ignatiev,
Valeri S. Stepanyuk, and Patrick Bruno — Max-Planck-
Institut für Mikrostrukturphysik, Weinberg 2, D-06120 Halle, Germany
The controllable modification of quantum states in 1D nanostructures
could permit one to manipulate their electronic and magnetic properties.
An advanced experimental methods, such as the scanning tunneling
microscope (STM), allows one to construct chains on surfaces in
atom-by-atom fashion [1,2]. Our ab initio calculations unambiguously
demonstrate that both sign and magnitude of the exchange interaction
between magnetic impurities incorporated in nonmagnetic chains
on metal surfaces can be tailored by an appropriate design of the chain
length and composition [3]. Such engineered 1D systems are experimentally
feasible [4], and the above effects should be detectable with
modern technology, for instance, by probing the Kondo resonance [5].
[1] S. Folsch, P. Hyldgaard, R. Koch, and K. H. Ploog Phys. Rev.
Lett. 92, 056803 (2004).
[2] N. Nilius T. M. Wallis, and W. Ho, Science 297, 1853 (2002).
[3] P. A. Ignatiev, V. S. Stepanyuk and P. Bruno, submitted to PRL
[4] J. Lagoute, C. Nacci, and S. Folsch Phys. Rev. Lett. 98, 146804
(2007).
[5] P. Wahl, P. Simon, L. Diekhoner, V. S. Stepanyuk, P. Bruno, M.
A. Schneider, and K. Kern, Phys. Rev. Lett. 98, 056601 (2007).
O 5.3 (683) Mon 11:45 MA 043
Ab initio Study of Spin-polarized Bound States in Magnetic
Dimers on Metal Surfaces — •Oleg O. Brovko, Valeri S. Stepanyuk,
and Patrick Bruno — Max-Planck-Institut für Mikrostrukturphysik,
Weinberg 2, D-06120 Halle, Germany
Interaction of single adatoms with surface state electrons has been
shown to produce a bound state below the surface state band bottom
[1,2]. Similar states have been revealed at nonmagnetic Cu chains
[2]. Using ab initio KKR Green’s function method we study the spinpolarized
bound state arising at magnetic dimers on noble metal surfaces.
We demonstrate that the spin-splitting of the bound state can
be utilized to determine the exchange coupling of a magnetic dimer.
[1] L. Limot, E. Pehlke, J. Kröger, and R. Berndt, Phys. Rev. Lett.
94, 036805 (2005). [2] V. S. Stepanyuk, A. N. Klavsyuk, L. Niebergall,
and P. Bruno, Phys. Rev. B 72, 153407 (2005)
O 5.4 (637) Mon 12:00 MA 043
Quantum resonators on metal surfaces: theoretical and experimental
studies — •L. Niebergall 1 , N.N. Negulyaev 2 , V.S.
Stepanyuk 1 , P. Bruno 1 , J. Repp 3 , G. Meyer 4 , and K.-H. Rieder 5
— 1 Max Planck Institute of Microstructure Physics, 06120 Halle,
Germany — 2 Physics Department, Martin-Luther-University Halle-
Wittenberg, 06099 Halle, Germany — 3 Institute of Experimental and
Applied Physics, University Regensburg, 93053 Regensburg, Germany
— 4 IBM Research, Zurich Research Laboratory, 8803 Rueschlikon,
Switzerland — 5 Institute of Experimental Physics, FU Berlin, 14195
Berlin, Germany
Confinement of surface-state electrons on metal surfaces can lead to
many interesting effects [1-3]. Here, we present a combined experimental
and theoretical studies on adatom motion in quantum resonators.
Using STM technique we construct two parallel monatomic Cu chains
on Cu(111). Quantum confinement of surface electrons between chains
is revealed. Experimental and theoretical studies demonstrate that
adatom motion inside the resonators at low temperature is determined
by quantized electronic states in resonators.
1. V.S. Stepanyuk et al., Phys. Rev. Lett. 94, 187201 (2005).
2. L. Niebergall et al., Phys. Rev. Lett. 96, 127204 (2006).
3. V.S. Stepanyuk et al., New J. Phys. 9, 388 (2007).
O 5.5 (238) Mon 12:15 MA 043
Self-organized surface ripples as a source of magnetic
anisotropies — •J. Fassbender 1 , M. O. Liedke 1 , A. Keller 1 , S.
Facsko 1 , D. Marko 1 , A. Hanisch 1 , J. Grenzer 1 , E. Cizmar 2 , and
S. Zvyagin 2 — 1 Forschungszentrum Dresden-Rossendorf, Institute of
Ion Beam Physics and Materials Research, Bautzner Landstrasse 128,
01328 Dresden, Germany — 2 Forschungszentrum Dresden-Rossendorf,
High Magnetic Field Laboratory, Bautzner Landstrasse 128, 01328
Dresden, Germany
In thin film magnetism surface and interface morphologies are impor-

tant sources of magnetic anisotropy. This can be either due to the reduced
coordination of step edge atoms (intrinsic contribution) or due
to magnetic stray fields emanating from the film corrugation (extrinsic
contribution). Low energy ion erosion is perfectly suited to create a
periodic surface modulation (so-called ripples) on the nanoscale. By
changing the primary energy of the ions the ripple periodicities can
be varied from 20 to 150 nm. Subsequently, thin magnetic films are
deposited on these template systems in order to investigate the influence
of the surface morphology on the induced magnetic anisotropies.
For small ripple periodicities a strong uniaxial magnetic anisotropy is
found which rapidly decrease for larger ripple periodicities. In the case
of Permalloy (Ni81Fe19) the induced anisotropy can be more than a
factor of 20 larger compared to the intrinsic anisotropy of flat Permalloy.
The microscopic origin of this effect will be discussed.
O 5.6 (447) Mon 12:30 MA 043
Magneto-optical study of hexagonal hole arrays in thin magnetic
films — •Georgios Ctistis 1 , Evangelos Papaioannou 2 ,
O 6: Metal Substrates: Clean Surfaces
Monday
Piotr Patoka 1 , Paul Fumagalli 2 , and Michael Giersig 1 —
1 Nanoparticle Technology Department, Center of Advanced European
Studies and Research, 53175 Bonn, Germany — 2 Institut für Experimentalphysik,
Freie Universität Berlin, 14195 Berlin, Germany
Nanostructured surfaces of optically thin films exhibit interesting optical
properties as plasmon assisted transmission and are thus interesting
for opto-electronic applications. Using magnetic materials such as Fe
or Co instead, could result in tailoring the magnetic properties of the
materials at desired frequencies.
In this study we present our magneto-optical studies of hexagonal
nano-hole arrays of 100 nm thick magnetic films (Fe, Co, Ni). Different
meshes were used with hole diameters ranging between 220 nm and
330 nm, while the inter-hole distance was kept constant at 470 nm, respectively.
Spectra were taken with a Kerr-spectrometer in the range
of 0.8 - 5 eV. A strong change in the response depending on the hole
geometry compared to the corresponding closed films is observed. Furthermore,
recorded hysteresis loops reveal the magnetization process
as a function of the underlying geometry.
Time: Monday 11:15–13:00 Location: MA 005
O 6.1 (25) Mon 11:15 MA 005
Imaging phonon excitation with atomic resolution — •Heiko
Gawronski and Karina Morgenstern — Institute of Solid State
Physics, Department of Surface Science, Leibniz University Hannover,
Appelstr. 2, D-30167 Hannover, Germany
Scanning tunneling microscopy (STM), inelastic tunneling spectroscopy
(IETS), and d 2 I/dV 2 -mapping at low temperature are used to
investigate vibrations of Au(111) and Cu(111). The low energy peaks
in the IET-spectra at 9 meV on Au(111) and 21 meV on Cu(111) are
attributed to phonons at surfaces. This phonon energy on Au(111) is
not influenced by the different stacking of the surface atoms, but it is
considerably influenced by different atomic distances within the surface
layer. In addition, the spatial variation of the phonon excitation
is measured in d 2 I/dV 2 -maps on Au(111). These display a novel type
of atomic resolution that is explained in terms of site specific phonon
excitation probabilities.
O 6.2 (36) Mon 11:30 MA 005
Diffraction and crystal symmetry in electron pair emission
from surfaces — •Frank O. Schumann, Carsten Winkler, and
Jürgen Kirschner — Max-Planck-Institut f\”{u}r Mikrostrukturphysik,
Weinberg 2 , 06120 Halle, Germany
We have investigated the electron pair emission from a Cu(111) surface
excited with a primary electron beam of 30.7 eV kinetic energy via a
coincidence time-of-flight experiment. The movement of two interacting
particles can be described within the so-called two-body problem,
where it is shown that the motion of the center-of-mass can be separated
from the relative motion. We adopt this notation in our presentation
of the data. If we focus on the motion of the center-of-mass, we
compute the sum of the in-plane momentum of the pair. Plotting the
coincidence intensity as a function of the sum momentum gives a twodimensional
distribution, which displays intensity peaks, if a reciprocal
lattice vector is added to the sum momentum of this electron pair and
not to the individual electrons. This highlights the fact that the pair
as the whole experiences diffraction at the surface. This in turn means
that the electrons must be interacting. The interaction within the pair
is described by the relative motion. The intensity distribution of this
motion reveals the six-fold symmetry of the surface. Both features are
only observed, if the valence band electron comes from the vicinity of
the Fermi level, where the Cu(111) surface exhibits a Shockley surface
state. For an explanation of our observations this electronic state is
important.
O 6.3 (156) Mon 11:45 MA 005
Relaxations at the Ag(001) surface: A LEED study
— •Michael Huth, Wolfram Münchgesang, Karl-Michael
Schindler, and Wolf Widdra — Martin-Luther Universität Halle-
Wittenberg, Institut für Physik, Halle, Deutschland
For low-energy electron diffraction a new approach of data recording
and postprocessing has been developed. The improved I(V) curves for
Ag(001) show low intensity features and additional fine structure of
high intensity peaks. By comparing experimental and calculated I(V)
curves significant relaxations of the top two layer distances have been
determined. The relaxations found basically confirm recent theoretical
predictions [1]. Detailed analysis shows that I(V) curves exhibit
a strong dependence on the angle of incidence and show that small
deviations from normal incidence can remove essential structures from
the I(V) curves.
[1] J.-M. Zhang, Y. Shu, K.-W. Xu, Sol. Stat. Comm. 137 (2006)
441
O 6.4 (644) Mon 12:00 MA 005
How Au(100) and Pt(100) reorganize themselves: Largescale
surface reconstructions studied by all-electron DFT —
•Paula Havu 1 , Ville Havu 1 , Patrick Rinke 1,2 , Volker Blum 1 , and
Matthias Scheffler 1,2 — 1 Fritz-Haber-Institut, Berlin, Germany —
2 University of California at Santa Barbara, CA 93106, USA
Pt(100) and Au(100) show large-scale quasi-hexagonal, often called
(5×20), surface reconstructions that are intimately linked to the external
surface conditions (temperature, absorbates, electrochemistry).
The reconstruction energy of Pt(100) is known from a careful calorimetric
measurement [1], but earlier first principles studies of both surfaces
have so far so far restricted to simpler (5×1) models that neglect
the long range aspect of the reconstruction. We here use the new numerical
atom centered orbital based all-electron code FHI-aims [2] to
determine the full (5×20)-reconstructed surface structure, by means of
density functional theory (DFT) calcluations. We compare our results
to full-potential LAPW results for older (5×1) models. The full surface
reconstruction is investigated both in DFT-LDA and -GGA (PBE functional),
both to uncover the precise relaxation mechanism, and to compare
quantitatively to the experimental reconstruction energy. [1] Y.
Y. Yeo, C. E. Wartnaby, D. A. King, Science 268, 1731-1732 (1995). [2]
V. Blum et al., The FHI-aims project, www.fhi-berlin.mpg.de/aims/
O 6.5 (388) Mon 12:15 MA 005
determination of the DOS in Nb(110) from scanning tunneling
spectroscopy — •Stefania C. Bobaru, Berndt Koslowski,
and Paul Ziemann — Institut für Festkörperphysik, Universität Ulm,
D-89069 Ulm, Germany
We investigate the electronic structure of Nb(110)/Al2O3(0001) by
means of Scanning Tunneling Spectroscopy (STS) at 6.2 K. To enable
a comprehensive analysis of the local electronic structure of niobium,
we employ standard I-V as well as I-z and dI/dz-z spectroscopy. The
experimental results will be discussed in the framework of a recently
developed method for recovering the electronic density of states (DOS)
from STS data [1]. Based on the one-dimensional WKB approximation
this method should enable recovering the DOS of the sample semiquantitatively,
and it should allow principally a deconvolution of tip
and sample DOS. In this contribution we first elucidate the effect of
data evaluation on the recovered DOS separating contributions from
the bulk and the surface. We then try to deconvolute the DOS of tip
and sample at least partially by comparing I-V data and differential

arrier measurements taken at different locations of the sample with
the same tunneling tip.
References:
[1] B. Koslowski, Ch. Dietrich, A. Tschetschetkin, P. Ziemann,
Phys.Rev. B 75, 035421 (2007).
O 6.6 (307) Mon 12:30 MA 005
Surface electronic structure of Y(0001): A consistent picture
— •Michael Budke, Juliet Correa, and Markus Donath
— Physikalisches Institut, WWU Münster, Wilhelm-Klemm-Str. 10,
48149 Münster
The photoemission (UPS) spectra of the (0001) surfaces of rare earth
single crystals like Sc, Pr, Y, Gd, Tb, Ho and Er show an intense feature
at about 10 eV binding energy. Its sensitivity to the degree of surface
order led to the acronym “surface order dependent state”(SODS)
in the literature [1]. For more than 20 years it remains an unsolved
puzzle why the SODS was not observed in photoemission data obtained
from clean rare-earth thin films grown on W(110) or Mo(110).
On the one hand, experiments performed on rare earth single crystals
are known to suffer from inherent impurities. On the other hand,
thin films grown on W(110) or Mo(110) are of higher purity but not
as well ordered as single crystals due to the considerable lattice mismatch
between substrate and film. In our contribution, we give a
consistent picture of the surface electronic structure of Y(0001) that
explains the differences between single-crystal and thin-film UPS data.
Furthermore, we provide evidence that the SODS is in fact due to car-
Monday
bon contamination, and not, as believed for more than 20 years, an
indicator for a well prepared, highly ordered surface.
[1] S.D. Barrett, Surface Science Reports 14, 271 (1992).
O 6.7 (501) Mon 12:45 MA 005
Efficient ab-initio based modelling of segregation profiles in
metal alloys for arbitrary bulk concentrations — •Tobias Kerscher
and Stefan Müller — Lehrstuhl für Festkörperphysik, Universität
Erlangen-Nürnberg, Staudtstr. 7, D-91058 Erlangen
As shown recently [1], the combination of density functional theory
(DFT) with cluster expansion methods and Monte-Carlo simulations
is a powerful tool to model surface segregation in binary metal alloys.
However, the predicted surface properties are then restricted to the inplane
lattice parameter defined by the bulk concentration of the alloy.
Indeed, a change of the bulk concentration demands the re-calculation
of all atomic configurations via DFT being the most time-consuming
factor in the used approach. We will present a cluster-expansion Hamiltonian
which provides universal and volume-corrected bulk energetics
for all bulk concentrations, and simultaneously, minimizes the number
of DFT calculation which have to be performed. This is demonstrated
for the [100] direction of the bulk systems Pt25Rh75 and Pt50Rh50.
Our results are in quantitative agreement with experimental measurements.
Supported by Deutsche Forschungs-Gemeinschaft
[1] S. Müller, M. Stöhr, O. Wieckhorst, Appl. Phys. A. 82, 415
(2006).
O 7: Symposium: Atomic Wires at Surfaces I
(Invited Speakers: Franz Himpsel, Hanno Weitering, Han Woong Yeom)
Time: Monday 11:15–13:45 Location: HE 101
O 7.1 (105) Mon 11:15 HE 101
Low-Dimensional Electrons at Metallic Semiconductor Surfaces
— •Franz Himpsel — Dept. Physics, University of Wisconsin,
Madison, USA
In recent years, it has become possible to create well-ordered semiconductor
surfaces with metallic surface states by using self-assembly
of metal atoms. Since these states lie in the band gap of the semiconductor,
they completely de-couple from the substrate. The surface
structures can be tailored from two-dimensional triangular lattices to
nearly one-dimensional atomic chains, which may be considered as
the ultimate nanowires. The dimensionality can be varied systematically
between 2D and 1D by using vicinal surfaces with variable step
spacing. Angle-resolved photoemission and scanning tunneling spectroscopy
reveal surprising features, such as a fractional band filling,
nanoscale phase separation into doped and undoped chain segments,
and a spin-splitting at a non-magnetic surface.
O 7.2 (681) Mon 11:45 HE 101
Properties and origin of one-dimensional Au nanostructures
on tungsten surface carbides — •Andrei Varykhalov, Oliver
Rader, and Wolfgang Gudat — BESSY Berlin
We introduce a universal template for one-dimensional selforganization.
The tungsten surface carbide W(110)/C-R(15×3) displays
a large-scale reconstruction with interesting properties [1,2]. We
recently showed that this structure which is rotated by 14 ◦ relative
to W is able to order various atomic species ranging from C60 superclusters
which show ”magic” numbers to Au films which become patterned
in a way that they in turn serve as templates for needle-shaped
Ni clusters [3]. The Au reconstruction is uniaxial with corresponding
one-dimensional E(k) dispersion [3]. We will demonstrate the origin of
the self-organization of Au comparing (15×12) and (15×3) templates
by STM and LEED. Two principally different mechanisms are identified:
At room temperature, regular Au clusters develop which are 1
monolayer high when grown on the (15×12) structure and 2 monolayers
high on (15×3) but always aligned along the physical potential
of the carbide nanomesh, i. e., off by 14 ◦ . Annealing rearranges the
Au adatoms towards a nanowire-like reconstruction which has rotated
back to the [001] of W. The chemical driving force for this is revealed
in detail by photoemission spectra from the valence band and the W4f
core level.
[1] M. Bode et al., Surf. Sci. 344, 185 (1995). [2] A. Varykhalov et
al., Phys. Rev. B 72, 115440 (2005). [3] A. Varykhalov et al., Phys.
Rev. B 73, 241404(R) (2006); 74, 95420 (2006); 72, 241404(R) (2005).
O 7.3 (5) Mon 12:00 HE 101
Spatial Mapping of the Electronic States of a One-
Dimensional System — Arie van Houselt, Bene Poelsema, and
•Harold Zandvliet — University of Twente, Enschede, The Netherlands
Using low-temperature scanning tunneling microscopy and spectroscopy
we have recorded spatial maps of confined electronic states in
the troughs between self-organized Pt nanowires on Ge(001) that are
spaced 2.4 nm apart. Two subbands are resolved, which correspond to
the lowest energy levels of a quantum mechanical particle in a box. As
expected, the spatial dI/dV maps exhibit a maximum and a minimum
in the middle of the troughs for the n=1 and n=2 states, respectively.
O 7.4 (561) Mon 12:15 HE 101
Electrons Confined to Atomic Nanowires of Au on Ge(001) —
•Jörg Schäfer, Christian Blumenstein, Sebastian Meyer, Marc
Wisniewski, and Ralph Claessen — Physikalisches Institut, Universität
Würzburg, D-97074 Würzburg
Nanowires reach their lower size limit in metal-induced chains on semiconductors.
In such quasi-one-dimensional (1D) systems, the Fermi
surface may host a charge density wave (CDW) with concomitant energy
gaps. Metallic chain reconstructions on Ge(001) can serve as
model systems, such as Au nanowires on Ge(001). In using scanning
tunneling microscopy, one finds that the wires are spaced by several
Ge lattice constants, with their electron density being laterally strictly
confined. In the related system Pt/Ge(001), our data show a conduction
path of atomic dimensions [1], yet various dimer elements are
detected. In contrast, in Au nanowires the charge density is spread
out very evenly in chain direction, as seen for a large range of bias values.
This reflects an unusually pronounced delocalization with metallic
character at room temperature. Most significantly, at low temperature
indication of a periodic superstructure along the chains of twice the
unit cell is found. The electronic properties have also been explored
with angle-resolved photoemission. These measurements reveal freeelectron-like
bands close to the Fermi level. Moreover, the observed
Fermi level crossings are supportive of a CDW nesting condition. The
talk will review the various aspects of this exceptional 1D electron liquid,
and present a perspective regarding related systems.
[1] J. Schäfer et al., Phys. Rev. B 74, 041404(R) (2006).

O 7.5 (31) Mon 12:30 HE 101
Electronic instabilities and fluctuations in quantum chains —
•Hanno H. Weitering — Department of Physics and Astronomy, The
University of Tennessee, Knoxville, TN 37931, USA — Materials Science
and Technology Division, Oak Ridge National Laboratory, Oak
Ridge, TN 37831, USA
One-dimensional (1D) quantum conductors have always captured the
imagination of physicists. While a strictly 1D material remains a theoretical
construct, a vast number of materials can be viewed as macroscopic
ensembles of weakly-coupled quantum chains, making them interesting
test cases for theoretical predictions. I will discuss the electronic
and magnetic properties of some quasi 1D systems on Si and Ge
surfaces. Highlights include the remarkable self-assembly of rare-earth
metal atoms on Si into silicide nanowires. Large strain anisotropy
in these wires can lead to extraordinary aspect ratios and uniformity.
The thinnest wires exhibit electronic properties reminiscent of a multichannel
1D conductor. These include the stepwise increase of the tunnel
current as a function of tip bias in scanning tunneling microscopy,
and the appearance of a fluctuating charge density wave or Peierls
instability at low temperature. Peierls instabilities are normally attributed
to a collective screening response of the 1D electron gas,
but in the present case there is no obvious connection to the classical
Peierls picture. The remarkable assembly of yttrium atoms into long
nanowires with built-in metal/semiconductor junctions is illustrative
of how the finite-size- and temperature-scaling behavior of a collective
phenomenon may one day be exploited in nano-architectures.
O 7.6 (33) Mon 13:00 HE 101
Phase transitions and fluctuations of metallic atomic wires on
silicon — •Han Woong Yeom — CAWL, Yonsei University, Seoul,
Korea
Wire-type metals in nano scale are essential for nano/molecular electronics
and their fundamental properties are challenging with vari-
Monday
ous exotic ground states and fluctuations. As an unconventional form
of such 1D metallic systems, we have investigated the self-organized
metallic atomic wires on flat and vicinal Si surfaces such as In/Si(111)
[1, 2, 3], Au/Si(111) [4], Au/Si(557) [5], and Au/Si(553) [6], and
Pb/Si(557) [7]. For some of these systems, we observed Peierls-type
phase transitions due to the 1D bands nested fully with electron fillings
of 1/2 or 1/3 [1-3, 5, 6]. In the present talk, I will review the achievements
so far and the present debates [8] on these phase transitions. A
few issues related to the transitions will be introduced such as (i) the
impurity control over the Tc, the band gap [4], and the solitonic dynamic
fluctuation [9], and (ii) the atomic-scale characterization of the
embryonic charge-density wave order [10]. I also raise the question of
why some of these systems like Au/Si(111) and Pb/Si(557) are robust
against Peierls instability down to fairly low temperature [7]. [1] H. W.
Yeom et al., PRL 82, 4898 (1999); [2] J. R. Ahn et al., PRL 93, 106401
(2004); [3] S. J. Park et al., PRL 93, 106402 (2004); [4] W. H. Choi et
al., PRL, submitted; [5] J. R. Ahn et al., PRL 91, 196403 (2003); [6]
J. R. Ahn et al., PRL 95, 196402 (2005); [7] K. S. Kim et al., PRL,
in press; [8] H. W. Yeom, PRL 97, 189701 (2006); [9] S. J. Park et al.,
PRL 95, 126102 (2005); [10] P. G. Kang et al., PRL, submitted.
O 7.7 (6) Mon 13:30 HE 101
Peierls instability in platinum chains on Ge(001) — •Arie van
Houselt, Daan Kockmann, Bene Poelsema, and Harold Zandvliet
— University of Twente, Enschede, The Netherlands
We have studied the structural and electronic properties of atomic Pt
chains on a germanium (001) substrate. Using scanning tunneling microscopy
we show that these Pt chains undergo a phase transition from
a 2x periodicity at room temperature to a 4x periodicity at low temperatures.
The coupling between the atomic chains turns out to be
of essential importance, since isolated Pt chains and chains located at
the edge of an array of chains maintain their 2x periodicity at temperatures
as low as 4.7 K. The 2x to 4x transition is accompanied by an
opening of an energy gap and can be interpreted as a Peierls instability.
O 8: Metal Substrates: Adsorption of Organic/Bio Molecules I
Time: Monday 12:00–14:45 Location: MA 041
O 8.1 (119) Mon 12:00 MA 041
Surface stress and its consequences: In-situ study of PTCDA
induced faceting of vicinal Ag(111) — •Florian Pollinger 1 ,
Pavo Vrdoljak 1 , Zhen Tian 2 , Dirk Sander 2 , Stefan Schmitt 1 ,
Christian Kumpf 1 , Achim Schöll 1 , Jürgen Kirschner 2 , and Eberhard
Umbach 1,3 — 1 Universität Würzburg, Experimentelle Physik
II, 97074 Würzburg — 2 Max-Planck-Institut für Mikrostrukturphysik,
06120 Halle — 3 Forschungszentrum Karlsruhe, 76021 Karlsruhe
Adsorption of organic molecules on vicinal metal surfaces is known to
promote faceting and self-organized ordering on mesoscopic scales. The
adsorption of PTCDA on vicinal Ag(111) surfaces leads to grating-like
structures after annealing [1]. The system PTCDA/Ag(10 8 7) was investigated
using two complementary techniques: An optical cantilever
bending technique sensitive to changes in surface stress and spot-profile
analysis low energy electron diffraction (SPA-LEED) to monitor the
development of the interface structure during faceting. The data was
compared to the related, non-faceting system PTCDA on Ag(111).
Overall, we find a surface stress change of 0.7 N/m due to the PTCDAinduced
faceting, whereas the adsorption of PTCDA without faceting
induces a change of 0.4 N/m. Moreover, the data allows an explicit and
unambiguous correlation of the surface stress change to the structural
and morphological evolution of the interface during the adsorption of
the PTCDA adlayer. In conclusion, the results provide experimental
evidence for significant surface stress induced by an organic adsorbate
and for its importance for faceting and long-range ordering at metalorganic
interfaces. [1] X. Ma et al., APL 84, 4038 (2004)
O 8.2 (466) Mon 12:15 MA 041
Island formation and diffusion of PTCDA on Ag(100) surface
— •Julian Ikonomov, Oliver Bauer, and Moritz Sokolowski —
Institut für Physikalische und Theoretische Chemie, Universität Bonn
Perylene-3,4,9,10-tetracarboxylic acid dianhydride (PTCDA) forms a
c(8×8) ordered structure with a high symmetry on Ag(100). For
submonolayers the attractive interactions between the molecules lead
to two-dimensional islands with a quadratic equilibrium shape. The
ordered PTCDA islands are in equilibrium with a disordered twodimensional
gas-like phase, consisting of highly mobile molecules. The
dynamic behavior of this system was studied by variable temperature
scanning tunneling microscopy. At room temperature, the islands were
found to grow preferentially at the lower side of substrate steps, while
at lower sample temperature, they grow on the terraces. At temperatures
of about 680 K, a phase transition to a fully disordered phase was
observed. The island decay and the diffusion of the PTCDA molecules
were quantitatively investigated in order to obtain surface related energies
and the diffusion parameters. Funded by the DFG SFB 624.
O 8.3 (571) Mon 12:30 MA 041
Low temperature phases of NTCDA and PTCDA monolayers
on Ag(111) — •Tim Laugks, Johannes Ziroff, and Friedrich
Reinert — University of Würzburg, Experimental Physics II, 97074
Würzburg, Germany
The organic semiconductor molecule 1,4,5,8-naphtalenetetracarboxylic
dianhydride (NTCDA) and 3,4,9,10-perylenetetracarboxylic-dianhydride
(PTCDA) exhibit phase transitions and
variances in the electronic structure for both samples at low temperatures
and for low temperatures during the film preparation. These
problems are subject of current research because the interface geometry
is decisive for the growth mode of organic molecules and the
electronic properties of the interface. To improve our understanding of
these systems we prepare NTCDA/PTCDA monolayers on Ag(111) at
substrate temperatures down to 100 K and monitor their properties in
a range from room temperature systematically down to 10 K. We investigate
the electronic structure at the various temperature dependant
phases, discussing the photoemission parameters of the HOMO and
the former LUMO features. These parameters (i.e. binding energy and
width) show a significant variation across the phase transitions and
therewith we suggest a model for the interactions between molecule
and substrate.
O 8.4 (549) Mon 12:45 MA 041

Tuning the interaction at an organo-metallic interface:
PTCDA on epitaxial Ag on Au(111) — •Johannes Ziroff,
Frank Forster, and Friedrich Reinert — Universität Würzburg,
Experimentelle Physik II , 97074 Würzburg
PTCDA (3,4,9,10-perylene-tetracarboxylic acid dianhydrid) monolayers
on Au(111) and Ag(111) are widely used model systems in the field
of organo-metallic interfaces, featuring the basic adsorbtion types of
physisorption and chemisorption respectively. By the growth of epitaxial
layers of Ag on Au(111), the electronic states of the substrate
can be modified (depending on the thickness of the Ag film) to become
more and more ”silver-like”, up to the point where they resemble the
(111) surface of bulk silver. This process includes the formation of
quantum well states with well charcterised charge distribution and
electronic properties. Therefore, this system enables experiments in
which we control the substrates physical properties in small discrete
steps, meanwhile tuning the molecular bonding from van der Waals to
covalent.
We will show angle-resolved photoemission spectra of PTCDA
monolayers on Ag films of various thicknesses on Au(111), focusing
on the valence band and its electronic features, namely the Shockley
surface state, higher molecular orbitals (HOMO, HOMO-1) and the
so-called former LUMO. We will comment on correlations between the
substrates distinctive electronic features and the appropriate interface
structure, thus fathoming their role in the bonding mechanism and the
formation of new valence electronic states.
O 8.5 (509) Mon 13:00 MA 041
Investigation of unoccupied electronic states in
PTCDA/Ag(111) — •Sönke Sachs 1 , Christian Schwalb 2 ,
Manuel Marks 2 , Stefan Krause 1 , Achim Schöll 1 , Eberhard
Umbach 1,3 , and Ulrich Höfer 2 — 1 Universität Würzburg, Experimentelle
Physik II, Am Hubland, 97074 Würzburg — 2 Universität
Marburg, Fachbereich Physik, Renthof 5, 35032 Marburg —
3 Forschungszentrum Karlsruhe, 76021 Karlsruhe
Energetics, momentum and time evolution of electronic states in organic
semiconductors and at their interfaces are fundamental properties
that strongly determine the performance in electronic applications.
All of these properties can be explored with two-photon photoelectron
(2PPE) spectroscopy for occupied and in particular for unoccupied
electronic states.
In the archetypal system perylene-tetracarboxylic-dianhydride
(PTCDA) on single crystal Ag(111) surfaces considerable differences
between the electronic states of chemisorbed monolayer films and multilayer
films are eminent. These differences, which are due to the altered
chemical environment of PTCDA- and as well Ag-derived states
in the vicinity of the interface, can be tracked with 2PPE. A new unoccupied
interface state at the Ag/PTCDA interface with a free-electron
like dispersion and comparatively short lifetime is detected that influences
the charge injection characteristics considerably. The results of
the 2PPE spectroscopy are compared to the results of complementary
spectroscopies like UPS, IPES, and STS.
O 8.6 (372) Mon 13:15 MA 041
Single molecule transport measurements in a well controlled
contact geometry — •Ruslan Temirov 1 , Adam Lassise 2 , Olga
Neucheva 1 , Frithjof Anders 3 , Michael Rohlfing 4 , Bo Song 5 ,
Florian Pump 5 , Gianaurelio Cuniberti 5 , and Stefan Tautz 1 —
1 Forschungszentrum Jülich — 2 Jacobs University — 3 Universität Bremen
— 4 Universität Osnabruck — 5 Technische Universität Dresden
Transport properties of single molecules are presently in the focus
of intense research. The reliability of experimental transport studies
is, however, often hindered by difficulties in controlling contacts
to the measured molecule on atomic level. Here we present single
molecule transport experiments made on PTCDA/Ag(111) and
PTCDA/Au(111) epitaxial interfaces which achieve a very high degree
of control over the contacts [1]. Although the presented transport
experiments were conducted in the LT STM, the limitation of the
two-terminal STM geometry has been overcome by using a mechanical
gating effect induced by the retraction of the STM tip [1]. Due to the
high degree of control and the rich tunability achieved in the presented
experiments, the obtained experimental data are fit for the comparison
with the theory on ab-initio level. First results of such theoretical
analysis will be discussed.
[1] R. Temirov, A. Lassise, F. Anders, S. Tautz. cond-mat/0612036
O 8.7 (431) Mon 13:30 MA 041
Local control of the conductivity of single atoms and molecule
Monday
probed by scanning tunneling microscopy and spectroscopy
— •Lucia Vitali 1 , Robin Ohmann 1 , Sebastian Stepanow 2 , and
Klaus Kern 1 — 1 MPI for Solid State Research, Stuttgart — 2 ICREA,
Barcelona
The implementation of molecule-based electronics is a pressing challenge
of nanotechnology. The realization of such a circuit is still facing
challenges such as the contact of the molecule to the electrodes. In
order to clarify this, we studied the conductivity through single atoms
and more complex molecular systems. Here, we present an experimental
study of the electronic transport through single Co atoms and
4-[trans-2-(pyrid-4-yl-vinyl)] benzoic acid (PVBA) molecules adsorbed
on Cu(111) studied by local probe spectroscopy at low temperatures.
Morphology and electronic structure of atoms and molecules, obtained
by conventional scanning tunneling microscopy/spectroscopy, are combined
with transport properties measurements extracted from point
contact spectroscopy. For Co single atoms the transport properties
are modulated by the Kondo screening. The Kondo temperatures observed
in tunneling and in point contact regime are comparable. A
general model to explain our experimental evidence is proposed. For
the PVBA molecules, the transport properties are strongly affected by
the molecule-metal adsorption orientation. This deepens our understanding
of the role of the molecular arrangement in the nano-junction
and in molecular electronic transport, and addresses the determining
role of the molecule-metal contacts.
O 8.8 (154) Mon 13:45 MA 041
Electron transport across single phthalocyanide (Pc)
molecules — •Florian Witt 1 , Albert Takacs 1,2 , Timofey
Balashov 1 , and Wulf Wulfhekel 1,2 — 1 Physikalisches Institut,
Universität Karlsruhe, Wolfgang-Gaede Strasse 1, 76131 Karlsruhe,
Germany — 2 CFN-DFG Centrum für Funktionelle Nanostrukturen
Recently molecular electronics is discussed as a future replacement
of semiconductor electronics. A detailed knowledge of the electronic
properties of the molecules i.e. the HOMO-LUMO gap, the density
of states and the conductance is necessary. Scanning Tunneling Microscopy
(STM) in combination with Scanning Tunneling Spectroscopy
(STS) has become one of the most important methods for studying
these molecular properties. We present results on single molecule
contact measurements obtained with STM at 4K. A small amount
of H2Pc and CoPc molecules was evaporated on clean Cu(111) and
Co/Cu(111). By laterally positioning the STM tip over isolated
molecules and approaching the tip towards the molecules we measured
the conductance as function of distance. Initially, an exponential increase
was observed reflecting electron tunneling. Below a critical distance
both H2Pc and CoPc molecules have a tendency to lift from the
surface and jump to contact with the tip. After the jump, the conductance
only weakly varies with the distance. On Cu(111) typical
conductances of 0.1 G0 were found while on Co/Cu(111) the conductance
is higher by a factor of 3. STS measurements in the tunneling
regime revealed strong vibrational modes located on the organic side
groups of Pc which are most likely responsible for the jump to contact.
O 8.9 (365) Mon 14:00 MA 041
Low dimensional electronic structure of a metal/organic
interface — •Isabel Fernández Torrente 1 , Nora González
Lakunza 2 , Katharina Jennifer Franke 1 , Nicolás Lorente 3 ,
Andrés Arnau 2 , and José Ignacio Pascual 1 — 1 Institut für Experimentalphysik,
Freie Universität Berlin, Germany — 2 Unidad de Física
de Materiales, Centro Mixto CSIC-UPV/EHU, San Sebastián, Spain
— 3 Institut de Ciencias de Materials de Barcelona-CSIC, Barcelona,
Spain
The TTF-TCNQ charge donor-acceptor complex is a prototypical organic
metal. In bulk, it crystallizes in a monoclinic structure built
up from parallel stacks of TTF and TCNQ, showing anisotropic conduction
along the molecular rows. Our aim is to study the interface
of a TTF-TCNQ organic film with a metal. By means of Low
Temperature Scanning Tunneling Microscopy and Spectroscopy (LT-
STM and STS) we characterise the structure and electronic properties
of sub-monolayer films of TTF-TCNQ grown on Au(111). Both
molecular species adsorb with a planar configuration. Nevertheless
there is a strong donor-acceptor recognition and TTF and TCNQ
self-assemble in alternating one-dimensional rows. This arrangement
modifies strongly the electronic properties of the molecular entities
and the surface state inducing the formation of a resonance with onedimensional
nature delocalised along the TCNQ rows. Ab-initio calculations
explain the origin of the detected resonances by a strong
modification of the surface state of the underlying metal upon hybridi-

sation with TTF on the mixed TTF-TCNQ phase.
O 8.10 (366) Mon 14:15 MA 041
Electron-phonon coupling in C60 as revealed by scanning
tunneling spectroscopy — •Katharina J. Franke 1 , Thomas
Frederiksen 2 , Sergio Monturet 3 , Gunnar Schulze 1 , Andres
Arnau 2 , Nicolas Lorente 4 , and Jose Ignacio Pascual 1 —
1 Freie Universität Berlin, Berlin, Germany — 2 Donostia International
Physics Center, Donostia, Spain — 3 Universite Paul Sabatier,
Toulouse, France — 4 Centro de Investigaciones en Nanociencia y Nanotecnologia,
Bellaterra, Spain
Electron-phonon coupling is of major importance for charge transport
through single molecule tunneling junctions. In most experimental
implementations of molecular junctions the electronic coupling of the
molecular orbitals with substrate states leads to a significant broadening,
thus obscuring electron-phonon coupling effects. Here, we investigate
the electronic structure of single C60 molecules adsorbed on top
of a self-assembled pattern of alternating tetraphenyladamantane and
C60. Scanning tunnelling spectroscopy reveals that these molecules
exhibit properties similar to the free molecule, such as a large gap of
3.7 eV and a narrow LUMO resonance of only ≈60 meV line width.
The LUMO resonance is followed by a broad weaker peak at about
240 meV higher energy. By density functional calculations including
the Jahn-Teller effect, we show that this broad feature is induced by a
complex coupling of the C60 vibrational eigenmodes with the LUMO
resonance.
O 9: Plenary Talk Sankar Das Sarma
Monday
O 8.11 (264) Mon 14:30 MA 041
Electronic and Vibrational Properties of Ce2@C80 Metallofullerenes
— •Bert Voigtländer 1 , Anna Strózecka 1 , Josef Mysliveček
1,2 , Kaliappan Muthukumar 3 , and J.Andreas Larsson 3 —
1 Institute of Bio- and Nanosystems (IBN 3), and cni – Center of Nanoelectronic
Systems for Information Technology, Research Centre Jülich,
52425 Jülich, Germany — 2 Department of Surface and Plasma Physics,
Charles University in Prague — 3 Tyndall National Institute, University
College Cork, Lee Maltings, Prospect Row, Cork, Ireland
The electron transport properties of the fullerenes have been investigated
by the study of the properties of single-molecule STM junctions
over an endohedral metallofulerene Ce2@C80 on Cu(111). In comparison
to single-molecule STM junctions over C60 molecules the controlled
contacts to the metallofullerene show an order-of-magnitude lower conductivity.
We ascribe this effect to the encapsulation of metal ions
inside the fullerene cage. The STM based inelastic vibrational spectroscopy
on Ce2@C80 shows, apart from features related to the cage
phonons also a low frequency mode at 9 meV. Based on theoretical
calculations of the vibrational structure of the molecule, the feature
can be assigned to the movement of Ce-Ce unit. The electronic spectroscopic
measurements on Ce2@C80 molecules reveal an unusually
high increase in the differential conductance of this molecule at low
bias voltages. The experiments indicate that the effect is related to
the excitation of highly efficient vibrational modes and not to e.g. to a
Kondo resonance that represents another common zero-bias anomaly.
Time: Monday 13:00–13:45 Location: H 0105
Computing with Quantum Knots: Non-Abelian Anyons and Topological Quantum Computation
O 10: Semiconductor Substrates: Epitaxy and Growth
Time: Monday 13:15–16:45 Location: MA 042
O 10.1 (320) Mon 13:15 MA 042
Thickness-dependent structural investigation of thin GaN
films by Photoelectron Diffraction — •Christoph Raisch,
Alexey Sidorenko, Heiko Peisert, and Thomas Chassé — University
of Tübingen, Institute of Physical Chemistry
Thin films of hexagonal gallium nitride have been grown on 6H-SiC
by ion-beam assisted MBE. The thickness ranges from submonolayers
to bulk-like samples of more than 100 monolayers. The samples were
characterised by XPS, LEED and XPD. During growth, two different
types of wetting layers were observed (i) a Ga metal wetting layer on
the SiC substrate and (ii) a Ga metal wetting layer on top of the growing
GaN film. They prove essential for the spreading wetting growth
mechanism and were used to derive interface electronic parameters of
the Ga/SiC and Ga/GaN Schottky barriers.
The substrate and the films have been examined by x-ray photoelectron
diffraction XPD, a method capable of determining the local
atomic structure of crystalline materials. By choosing different photoemission
lines, the environments of gallium and nitrogen have been
investigated separately and are compared to each other. The differences
between Ga2p and Ga3d emission have been evaluated, with
Ga3d photoelectrons being bulk sensitive while Ga2p photoelectrons
are probing the surface. Features evolving with thickness are identified
and interpreted. The experiments are supported by multiple scattering
cluster calculations, showing clear trends with increasing film thickness.
The simulations also allow the determination of the polarity of
the films, which is found to be Ga-terminated for all samples.
O 10.2 (326) Mon 13:30 MA 042
Morphological and chemical characterization of thin heteroepitaxial
Praseodymium sesquioxide films on Si(111) —
•Andreas Schaefer 1 , Volkmar Zielasek 1 , Thomas Schmidt 2 , Anders
Sandell 3 , Joachim Wollschläger 4 , Jens Falta 2 , and Marcus
Bäumer 1 — 1 Institut für Angewandte und Physikalische Chemie,
Universität Bremen — 2 Institut für Festkörperphysik, Universität Bremen
— 3 Department of Physics, University of Uppsala — 4 Fachbereich
Physik, Universität Osnabrück
Among the rare earths Praseodymium oxides possess the highest oxygen
mobility and a high oxygen storage capability. Due to this fact
they are promising candidates for catalytic applications exploiting the
variable valency of Pr. A simplified two dimensional model system of
the oxide catalyst can be prepared on silicon substrates in an UHV environment
to study the atomic details of oxygen transport and transfer
when exposed to adsorbed molecules. Here we report on the growth
and morphology of heteroepitaxial Pr2O3 films at a low deposition rate
on Si(111) which were investigated using Spot Profile Analysis of Low-
Energy Electron Diffraction. In the initial stages of growth the specular
diffraction spot exhibits a pronounced threefold symmetry most likely
reflecting the formation of highly ordered islands of triangular shape
as shown by STM. A roughening of the substrate surface is observed
during growth of the initial Praseodymium oxide layer. Beyond these
morphological studies, preliminary results of a first chemical characterization
of the films with and without adsorbates (CO and oxygen)
by XAS and XPS will be presented.
O 10.3 (625) Mon 13:45 MA 042
Combined electrical and chemical characterization of BaO
thin films on Si(001) — •Dirk Müeller-Sajak 1 , Alexandr
Cosceev 2 , Herbert Pfnür 1 , and Karl R. Hofmann 2 — 1 Leibniz-
Universität Hannover, Inst. f. Festkörperphysik — 2 Leibniz-
Universität Hannover, Bauelemente der Mikro- und Nanoelektronik
In context with the search for alternative gate oxides on SiO2 in CMOS
technology, we have grown high-k BaO films at a thickness between 5
and 20 nm on clean Si(001) using molecular beam epitaxy of Ba metal
in ambient oxygen pressure. Interface states and color centers were
characterized by XPS and EELS while varying temperature and oxygen
partial pressure during growth. For the electrical measurements,
Si(001) has been pre-structured by optical lithography and BaO was
only generated on small squares using a tungsten mask. After preparation,
the films were capped with 250nm of Au and electrically characterized
ex situ.
From capacity-voltage measurements on known areas of BaO windows,
a dielectric constant of 30 was calculated. This means that for a
5nm BaO film corresponds to an equivalent oxide thickness (EOT)

of 0.65 nm of SiO2. These measurements also show very low hysteresis
(

Ge stripes is observed. This pit formation occurs in surfactant mediated
epitaxy (Bi) when a small amount of Si is deposited and attaches
as a small rim at the Ge stripes. As we will explain this nanoscale
pit formation is driven by both, the energy gain when Ge leaves the
Ge stripe and attaches to the thin Si rim terminating the Ge stripe,
and the entropy gain due to SiGe intermixing at the step edges. While
the direct vertical exchange would lead to a similar final state a high
exchange barrier is involved. The pathway via pit formation involves
a much lower exchange barrier.
O 10.11 (67) Mon 15:45 MA 042
Growth and arrangement of silicon and germanium
nanowhiskers — •Andrea Kramer — Institut für Kristallzüchtung,
Berlin
The growth of silicon and germanium nanowhiskers as well as
their arrangement by pre-structuring of substrates will be discussed.
Nanowhiskers are grown via vapor-liquid-solid (VLS) mechanism,
which is a method based on solution growth within metal droplets,
in an ultra-high vacuum chamber by molecular beam epitaxy (MBE).
To obtain a defined positioning of metal droplets, and thus a regular
arrangement of nanowhiskers, a reproducible process for the localization
of single metal droplets in pre-structured nanopores was
successfully developed. Silicon or germanium substrates are initially
patterned with nanopores by focused ion beam (FIB) treatment. By
adjusting metal evaporation rate and substrate temperature in the
growth chamber, individual droplets are preferentially formed within
the pre-structured pores. Subsequently, silicon or germanium is evaporated
in order to form a solution with the metal and initiate the
epitaxial growth of nanowhiskers on the substrate. The morphology of
the processed samples has been investigated by scanning electron microscopy
(SEM) and transmission electron microscopy (TEM). Results
of whisker growth and arrangement will be presented.
O 10.12 (612) Mon 16:00 MA 042
Structure and morphology of graphene layers on SiC(0001)
— •Christian Riedl 1 , Chariya Virojanadara 1 , Christian Ast 1 ,
Alexei Zakharov 2 , Klaus Heinz 3 , and Ulrich Starke 1 — 1 Max-
Planck-Institut für Festkörperforschung, Heisenbergstr. 1, D-70569
Stuttgart, Germany — 2 MAX-Lab, Lund University, Box 118, Lund,
S-22100, Sweden — 3 Lehrstuhl für Festkörperphysik, Universität
Erlangen-Nürnberg, Staudtstr. 7, D-91058 Erlangen, Germany
We report on the development of graphene layers on the 4H-SiC(0001)
surface by high temperature annealing under ultra high vacuum conditions
focusing on two issues: firstly, we analyze the precursor stage of
graphitization, the (6 √ 3×6 √ 3)R30 ◦ -reconstruction. By means of low
energy electron diffraction (LEED) and scanning tunneling microscopy
(STM) we discuss the role of three observed phases with periodicities
(6 √ 3×6 √ 3)R30 ◦ , (6×6) and (5×5) for three different preparation
conditions [1]. Secondly, the growth of epitaxial graphene is discussed
in detail. Depending on tunneling bias and tip conditions STM micrographs
show the graphene layers with atomic resolution and its
long-range epitaxial relation to the underlying substrate [1]. We show
that LEED pattern and intensities can be applied quantitatively to
monitor the number of graphene layers during the preparation proce-
O 11: Time-Resolved Spectroscopy I
Monday
dure. We correlate LEED fingerprints with angular resolved photoelectron
spectroscopy (ARUPS) from HeII excitation, high resolution
x-ray photoelectron spectroscopy (XPS) and low energy electron microscopy
(LEEM).
[1] C. Riedl et al., Phys. Rev. B, in print
O 10.13 (669) Mon 16:15 MA 042
Spatial variation of the Dirac-gap in epitaxial graphene —
•Lucia Vitali, Christian Riedl, Robin Ohmann, Ulrich Starke,
and Klaus Kern — MPI for Solid State Research, Stuttgart, Germany
The unconventional electronic properties of graphene make it a promising
candidate for the realization of novel nanoelectronic circuits which
was first realized using single layer graphene samples produced by
mechanical exfoliation. An alternative method has been established
with the epitaxial growth of graphene on SiC basal-plane surfaces by
thermal decomposition of the topmost SiC bilayers. The electronic
structure of mono- and few-layer graphene on SiC shows the typical
linear dispersion of the π-bands at their crossing at the Dirac point.
The opening of a gap as a function of the layer thickness and charge
distribution can be observed by high-resolution photoemission experiments.
However, the conditions and layer thickness required for the
gap opening and the detailed values of gap size and Dirac energy shift
are currently under debate. In the present communication we use
scanning tunneling spectroscopy (STS) at low temperatures to obtain
insight in the local electronic structure of mono- and bilayer graphene
on SiC(0001). We show that already for the first graphene layer grown
on top of the (6 √ 3×6 √ 3)R30 ◦ buffer layer a gap opening is observed.
The size of this gap, however, is varying with the periodicity of the
interface structure, possibly due to a spatially dependent potential induced
into the graphene layer. For the second layer we also observe
the Dirac gap but no local spatial variation, i.e. the interface potential
is too weak to modulate the electronic structure of the bilayer.
O 10.14 (716) Mon 16:30 MA 042
Graphene band structure near the Dirac point - lifting of the
degeneracy ? — Eli Rotenberg 1 , Aaron Bostwick 1 , Taisuke
Ohta 1,2 , Jessica McChesney 1,2 , Thomas Seyller 3 , and •Karsten
Horn 2 — 1 Advanced Light Source, Lawrence Berkeley Lab, California
USA — 2 Fritz-Haber-Institut der MPG, Berlin — 3 Institut für Physik
der Kondensierten Materie, Universität Erlangen
The band structure of graphene exhibits a degeneracy of the valence
and conduction bands where the linearly dispersing bands cross at
the Brillouin zone boundary [1]. In contrast to previous experimental
evidence which strongly supports this band crossing, recent photoemission
data by Zhou et al. [2] suggest that this degeneracy is lifted in
graphene layers on SiC(0001), through the influence of the substrate,
and that a band gap opens at the crossing point. We discuss these
results in the light of additional results and present a straightforward
and rather intuitive explanation for the conflicting results in terms of
the quality of the graphene films prepared on silicon carbide.
[1] J.C.Slonczewski and P.R.Weiss, Phys. Rev. 109, 272(1958). [2]
A.Boswick et al., Nature Physics 3, 36(2007). [3] S.Y.Zhou et al.,
Nature Materials 6, 774(2007).
Time: Monday 13:30–15:00 Location: MA 043
O 11.1 (303) Mon 13:30 MA 043
Two-photon photoemission of image-potential resonances in
front of the Si(100) surface — Jens Kopprasch 1 , •Christian
Eickhoff 1 , Irina Ostapenko 1 , Cornelius Gahl 1 , and Martin
Weinelt 1,2 — 1 Max-Born-Institut, Max-Born-Straße 2A, 12489
Berlin — 2 Freie Universität Berlin, Arnimallee 14, 14195 Berlin
We have investigated the dangling-bond states and image-potential
resonances on the Si(100) 2 × 1 surface by means of bichromatic twophoton
photoemission. Optical parametric amplification generates
70 fs ultraviolet pulses with tunable photon energies between 4.5 and
5.5 eV. These allow us to populate unoccupied states up to the Si(100)
vacuum level, probed by the IR fundamental at a fixed wavelength of
795 nm. Besides the occupied dangling-bond state Dup, we resolve the
first two image-potential states with binding energies of E1 = 0.62 eV
and E2 = 0.18 eV with respect to the vacuum level. Using these ener-
gies we obtain a surface dielectric-constant of ɛ = 11.2 which is close
to the silicon bulk-value of ɛ = 11.9.
Tuning the photon energy of the pump pulse across the Dup to
n = 1 and Dup to n = 2 transitions we find a significant variation of
both the 2PPE peak positions and the intensities. Before resonance we
observe the Dup initial state with the kinetic energy increasing with
the pump-pulse photon-energy. Above resonance the Dup intensity
is significantly reduced and shifted to the respective image-potential
resonances at constant kinetic energy. These intensity variations indicate
interference between the transition to the discrete image-potential
resonance and transitions to the continuum of unoccupied bulk states.
O 11.2 (469) Mon 13:45 MA 043
Combining density functional and density matrix theory:
Optical excitation and electron relaxation at the Si(001)
2×1 surface — •Norbert Bücking 1,3 , Peter Kratzer 2 , Matthias

Scheffler 3 , and Andreas Knorr 1 — 1 Institut für Theoretische
Physik, Technische Universität Berlin, 10623 Berlin, Germany —
2 Fachbereich Physik, 47048 Duisburg, Germany — 3 Fritz-Haber-
Institut der MPG, 14195 Berlin, Germany
A theoretical two-step approach to investigate the optical excitation
and subsequent phonon-assisted relaxation dynamics at semiconductor
surfaces is presented and applied to the Si (001) 2 × 1-surface: In
the first step, the electronic band structure and the Kohn-Sham wave
functions are calculated by density-functional-theory (DFT) within
the LDA. In the second step, dynamical equations are derived from
density-matrix theory (DMT), whereby an optical field is considered
via A · p-coupling and phonon induced relaxation by a deformation
potential coupling term. Into these equations, the numerical results
of the DFT calculation (Kohn-Sham eigenvalues and wave functions)
enter as coupling matrix elements. By numerically solving the dynamical
equations, the time-resolved population of the excited states
can be evaluated. The results for the Si (001) surface correspond to
the findings of recent experiments, in particular a short (intra-surfaceband
scattering) and a long (bulk-surface band scattering) timescale
are dominating the relaxation process. The value of the experimental
short timescale is reproduced by our calculations, whereas the long
timescale cannot be accurately described by our theory.
O 11.3 (580) Mon 14:00 MA 043
The Atomistic-Continuum Modeling of Short Pulse Laser Interaction
with Semiconductors — •Dmitriy Ivanov and Baerbel
Rethfeld — Physics Department, Technical University of Kaiserslautern,
Kaiserslautern, Germany
The understanding of fundamental mechanisms behind the sub-wave
length surface modification on semiconductors is of a great importance
for Information Technologies. However, strong laser-induced phase
perturbations, occurring under conditions of nonequilibrium between
free laser-generated carriers and phonons, make the experimental and
theoretical study of short pulse laser nanostructuring on semiconductors
difficult. Previously, the atomistic-continuum approach for modeling
of short-pulse laser interactions with metals have been proven as an
efficient tool when studying processes of laser melting, ablation, and
nanostructuring on metals. In present work, a computational technique
that combines the advantages of different approaches into the
atomistic-continuum model for semiconductors is developed on the example
of Si. In the combined model, 1) the kinetics of fast non equilibrium
phase transformations is treated at atomic level with Molecular
Dynamics method, and 2) the description of laser light absorption by
free carriers, their transport dynamics, and strong laser-induced non
equilibrium between free carriers and phonons are accounted for in the
continuum part by means of free carrier dynamics model.
O 11.4 (353) Mon 14:15 MA 043
Potential Energy Surface of Laser-Excited InSb — •Jessica
Walkenhorst, Eeuwe S. Zijlstra, and Martin E. Garcia — Theoretische
Physik, Fachbereich Naturwissenschaften, Universität Kassel,
Heinrich-Plett-Str. 40, 34132 Kassel
A recent experiment [A. M. Lindenberg et al., Science 308, 392 (2005)]
performed on InSb suggests that ultrafast laser-induced nonthermal
melting occurs due to a flattening of interatomic potentials. This study
was based on Debye-Waller theory, applied in the time-domain and for
non-equilibrium processes. We analyzed the nonthermal melting of
InSb by using (i) first-principles electronic structure calculations for
Monday
the interatomic potentials (ii) dynamical models to find the structure
factors under different nonequilibrium conditions. Our calculations
show that no dramatic flattening of the potential energy surface occurs.
Instead, the softening of the transverse acoustic phonons at the
X point suffices to explain the measured Gaussian x-ray intensity decay.
O 11.5 (47) Mon 14:30 MA 043
Ultrafast electron dynamics in Pb/Si(111) investigated by
two-photon photoemission — •Patrick S. Kirchmann, Martin
Wolf, and Uwe Bovensiepen — Fachbereich Physik, Freie Universität
Berlin, Arnimallee 14, D-14195 Berlin-Dahlem
We studied the ultrafast electron relaxation dynamics of hot electrons
in quantum well states (QWS) in ultrathin epitaxial Pb films
on Si(111) [1] by femtosecond time-resolved two-photon photoemission
spectroscopy.
Up to four unoccupied QWSs are identified, which exhibit a biexponential
decay of the hot electron population. The slower decay is
assigned to a delayed filling of the metallic QWS in the Pb adlayer by
scattering from electronic states of the optically excited Si(111) substrate.
The faster decay is assigned to e-e scattering within the Pb film.
The overall trend of the extracted decay rates is governed by Fermi liquid
theory. However, a detailed analysis reveals a well resolved dip in
the decay rate which occurs precisely at the binding energy of the band
bottom of the first unoccupied QWS. This local minimum of the decay
rate is assigned to intra-subband scattering within the Pb film.
Thus, for a comprehensive description of the electron decay in a
two-dimensional metal film not only the electron density and screening
parameters as in Fermi liquid theory have to be considered. Here,
we show that also the electron scattering processes in the quantized
band structure have to be taken explicitly into account.
[1] P. S. Kirchmann et al., Phys. Rev. B 76, 075406 (2007)
O 11.6 (291) Mon 14:45 MA 043
Time-resolved Electron Diffraction studies on the ultrafast
temperature response of Bi and Pb on Si(111) — •Boris
Krenzer, Anja Hanisch, Simone Möllenbeck, Tobias Pelka, and
Michael Horn-von Hoegen — Department of Physics, University of
Duisburg-Essen, 47048 Duisburg, Germany
Recent progress in developing ultrashort electron pulses has opened the
wide field of investigating structural dynamics of surfaces upon shortpulsed
laser excitations. Because the diffraction pattern is related to
the atomic positions in a solid and its surface, direct investigation of
transient structures on a femtosecond timescale became possible. Additionally,
the diffracted intensity is affected by the thermal excitation
of the solid and its surface. Thus, a time-resolved electron diffraction
experiment yields information on the transient structure and the
transient vibrational energy contained in the system at the same time.
Here we report on the fs-excitation of ultra-thin epitaxial Bi- and
Pb-films on a Si(111)-substrate. For the Bi-film the initial temperature
rise upon laser excitation is rather slow with a time-constant of 20 ps,
which is in accordance to the predictions of the two-temperature model
(2TM). Because Pb has a three orders of magnitude larger electronphonon
coupling constant the observed initial surface temperature rise
is faster than for Bi but slower than the prediction of the 2TM. This
discrepancy is attributed to the limited time-resolution of the experiment.
However, the Pb/Si(111) is an ideal system to quantify the
experimental temporal resolution and to test methods for improving
the time-resolution.
O 12: Symposium: Size-Selected Clusters at Surfaces I
(Invited Speakers: Karl-Heinz Meiwes-Broer, Heinz Hövel, Thorsten Bernhardt)
Time: Monday 13:30–16:45 Location: MA 005
O 12.1 (455) Mon 13:30 MA 005
Charge transport and magnetism of deposited clusters —
•Karl-Heinz Meiwes-Broer 1 , Ingo Barke 1 , Armin Kleibert 1 , Viola
von Oyenhausen 1 , Joachim Bansmann 2 , Kristian Sell 1 , Stefan
Polei 1 , and Norman Wilken 1 — 1 Institut für Physik, Universität
Rostock, Universitätsplatz 3, D-18051 Rostock, Germany —
2 Abteilung Oberflächenchemie und Katalyse, Universität Ulm, Albert-
Einstein-Allee 47, D-89069 Ulm, Germany
Magnetism and electronic properties of clusters at surfaces are of wide
interest as is documented by the current Priority Programme of the
Deutsche Forschungsgemeinschaft (DFG-Schwerpunktprogramm 1153)
[1]. In particular, the novel physics found on the nm-scale might lead
to interesting novel objects for future applications. In this contribution
3 to 15 nm mass-filtered metal clusters are studied deposited from an
ACIS source onto ultraclean solid surfaces. In the case of alloy clusters,
the particles stoichiometry could independently be clarified by
EDX and X-ray absorption spectroscopy, typically yielding a compo-

sition close to the target material. Low-temperature STS serves for
the investigation of electronic properties. The resulting dI/dU curves
are distinctly structured which results from the size-dependent density
of states of the clusters as well as from the underlying substrate.
Magnetic properties are interrogated with x-ray absorption (XMCD)
measurements. Strongly size and substrate dependent magnetic orbital
moments are found [2].
[1] Special issue on clusters at surfaces in Appl. Phys. A 82(1), 2006
[2] A. Kleibert et al., J. Appl. Phys. 101, 114318, 2007
O 12.2 (461) Mon 14:00 MA 005
Supported Magic Numbers for Size-Selected Ag Clusters on
Fullerene Layers — •H. Hövel1 , S. Duffe1 , L. Patryarcha1 ,
T. Richter1 , B. Sieben1 , C. Yin2 , B. von Issendorff2 , and M.
Moseler3,4 — 1Technische Universität Dortmund, Experimentelle
Physik I — 2Universität Freiburg, Fakultät für Physik — 3Fraunhofer- Institut für Werkstoffmechanik IWM, Freiburg — 4Freiburg Materials
Research Center
Mass selected clusters from Ag +
55 to Ag+ 561±5 were deposited on HOPG
and Au(111) functionalized with monolayers (ML) of C60 molecules,
which proved to be a new and promising choice for the investigation
of mass selected clusters. Depositions at 165 K gave extremely narrow
cluster height distributions in STM images measured at 77 K.
Molecular dynamics simulations for the deposition suggest softlanding
with minor distortions of the icosahedral cluster shape at the clusterfullerene
interface [1]. Using C60/HOPG or 2 ML C60/Au(111) the
cluster heights are stable for more than 12 h at room temperature
(RT). For 1 ML C60/Au(111) the cluster height decreases and finally
all clusters disappear at RT. Molecular dynamics simulations reveal
a process by which the clusters decay atom by atom through 1 ML
C60/Au(111) at RT. A sharp maximum at 1.7 nm cluster height forms
during the cluster decay, indicating that there exists some metastable
’supported magic number’. For the soft-landed clusters we measured
identical spectral features for individual clusters with the same selected
size using STS at 5 K.
[1] S. Duffe et al., Eur. Phys. J. D (2007), published online
O 12.3 (226) Mon 14:30 MA 005
Femtosecond laser spectroscopy of clusters at surfaces —
•Thorsten M. Bernhardt — Institut für Oberflächenchemie und
Katalyse, Universität Ulm, 89069 Ulm, Germany
Femtosecond two photon photoemission spectroscopy is employed to
investigate the electronic structure of ultra-thin magnesium oxide films
and of mass-selected clusters deposited onto this substrate. Distinct
changes in the electronic structure of these films induced by oxygen
vacancy defects and by metal cluster deposition are identified in the
photoemission spectra and help to elucidate the origin of the observed
catalytic activity of supported cluster nano-systems. Furthermore, in
a new experimental approach, time-of-flight mass spectrometry in conjunction
with femtosecond resonance-enhanced multiphoton ionization
is used to directly monitor the chemical reaction dynamics of adsorbate
molecules. This new method enables the distinction of different
reaction pathways through direct real-time monitoring of the mass and
the kinetic energy of reaction products and intermediates.
15 min. break
O 12.4 (109) Mon 15:15 MA 005
Mass-selected non-IPR fullerenes deposited on HOPG —
•Daniel Löffler, Patrick Weis, Artur Böttcher, and Manfred
M. Kappes — Institut für Physikalische Chemie, Universität Karlsruhe
(TH), Germany
Cn layers, (48≤n≤68), have been created under ultra high vacuum
conditions by low-energy deposition of mass-selected Cn + clusters
onto HOPG surfaces [1][2]. Cn + (48≤n≤68) ions originate from the
electron-impact induced ionization and fragmentation of C60 and C70.
The resulting Cn cages represent non-IPR building blocks (Isolated
Pentagon Rule) and exhibit localized reaction centers (e.g. adjacent
pentagons, 2AP, heptagonal rings, HP, squares). This property leads
to the formation of covalent intercage bonds, -Cn-Cn-, which are responsible
for the high thermal stability of the Cn solid films. The
activation energy for desorption of Cn is considerably higher than the
value found for related IPR cages. The intercage binding energies
found for Cn + (62≤n≤68) are lower than those found for the corresponding
Cn + (50≤n≤58) cages. This fact indicates that the strength
of the Cn-Cn bonds results from the interplay between the cage cur-
Monday
vature (pyramidal angle) and the mean number of non-IPR reaction
centers per cage. The electronic structure of the valence band, as monitored
by UPS (21.2eV), varies significantly with the cage size. The
surface ionization potential and the width of the HOMO-LUMO gap
dependent on the cage size and on the type of non-IPR sites terminating
the cage.
[1] Böttcher et al., PCCP, 7 (2005) 2816
[2] D. Löffler et al., J. Chem. Phys. 125 (2006) 224705
O 12.5 (136) Mon 15:30 MA 005
Counting electrons in quantum-well states of Au chains
on an alumina thin film on NiAl — •Maria Veronica
Ganduglia-Pirovano 1 , Niklas Nilius 2 , Veronika Brazdova 1 ,
Maria Kulawik 2 , Joachim Sauer 1 , and Hans-Joachim Freund 2 —
1 Institut für Chemie, Humboldt-Universität zu Berlin, Berlin, Germany
— 2 Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin,
Germany
Low-temperature STM measurements combined with DFT calculations
are employed to study the adsorption of gold on alumina/NiAl(110).
The binding of Au monomers involves breaking of an
oxide Al-O bond below the adatom and stabilizing the hence undercoordinated
O ion by forming a new bond to an Al atom in the NiAl.
The adsorption implies negative charging of the adatom. The linear
arrangement of favorable binding sites induces the self-organization of
Au atoms into chains. Their electronic structure is described by a series
of quantum well states (QWSs) that evolve from the s-d z 2 orbitals
of the single adatoms. The node structure of the QWSs can only be explained
when considering the charge transfer through the thin alumina
film into the Au adchains in the electron count.
[1] N. Nilius, M. V. Ganduglia-Pirovano, V. Brázdová, M. Kulawik,
J. Sauer, and H-J. Freund, Phys. Rev. Lett. submitted.
O 12.6 (150) Mon 15:45 MA 005
Unoccupied states of individual silver clusters and chains on
Ag(111) — •Alexander Sperl 1 , Jörg Kröger 1 , Nicolas Neél 1 ,
Henning Jensen 1 , Richard Berndt 1 , Andreas Franke 2 , and Eckhard
Pehlke 2 — 1 Institut für Experimentelle und Angewandte
Physik, Christian-Albrechts-Universität zu Kiel, D-24098 Kiel, Germany
— 2 Institut für Theoretische Physik und Astrophysik, Christian-
Albrechts-Universität zu Kiel, D-24098 Kiel, Germany
Size-selected silver clusters on Ag(111) were fabricated by single-atom
manipulation using the tip of a low-temperature scanning tunneling
microscope. Unoccupied electron resonances give rise to spectral features
which shift towards the Fermi level with increasing cluster size.
Linear assemblies exhibit higher resonance energies than equally sized
compact assemblies. Density functional theory calculations reproduce
the observed energies for the linear clusters and enable an assignment
of the resonances to hybridized atomic 5s and 5p orbitals with silber
substrate states.
O 12.7 (608) Mon 16:00 MA 005
Size-dependent Surface States on Strained Cobalt Nanoislands
on Cu(111) — •Benjamin Heinrich 1 , Mircea-Vasile
Rastei 1 , Laurent Limot 1 , Pavel A. Ignatiev 2 , Valeri S.
Stepanyuk 2 , Patrick Bruno 2 , and Jean-Pierre Bucher 1 —
1 Institut de Physique et Chimie des Matériaux de Strasbourg, UMR
7504, Université Louis Pasteur, F-67034 Strasbourg, France — 2 Max-
Planck-Institut für Mikrostrukturphysik, D-06120 Halle/Saale, Germany
Nanoislands on metal surfaces have been a matter of intense research
for decades in view of prospective applications in a vast variety of domains.
One of the main challenges in this regard is to control the interplay
between the physical properties, whether magnetic, electronic
or chemical, and the lattice mismatch with the metal substrate, which
results in changes due to strain.
In this work, we focus on the interplay between strain relaxations
and the surface states of Co nanoislands on Cu(111). By lowtemperature
scanning tunneling spectroscopy (LT STS), taken over
the islands, we show for the first time that the electronic states of the
islands vary with their size: Occupied surface states exhibit a sizeable
downward energy shift as the island size decreases. Atomic-scale simulations
and ab initio calculations confirm that the driving force for
the observed shift is related to size-dependent mesoscopic relaxations
in the nanoislands.
O 12.8 (603) Mon 16:15 MA 005
Thermally activated processes for mass selected Ag clusters

on 1 and 2 monolayers C60 on Au(111) — •S. Duffe 1 , L.
Patryarcha 1 , T. Richter 1 , B. Sieben 1 , H. Hövel 1 , C. Yin 2 , B. von
Issendorff 2 , and M. Moseler 3,4 — 1 Technische Universität Dortmund,
Experimentelle Physik I — 2 Universität Freiburg, Fakultät für
Physik — 3 Fraunhofer-Institut für Werkstoffmechanik IWM, Freiburg
— 4 Freiburg Materials Research Center
We deposited at 165 K mass selected clusters from Ag147±1 to
Ag561±5, expected to form geometrically magic icosahedra, on 1.7 ML
C60/Au(111). On 1 and 2 ML C60 we observed very narrow cluster
height distributions. After annealing, the clusters on 2 ML C60 kept
their original height for more than 12 hours at room temperature (RT).
In contrast the clusters on 1 ML C60 decayed and disappeared at RT
[1]. During the decay process we observed a metastable size with the
height of 1.7 nm for different initial cluster sizes. Neither Ag55 with
h=(1.5 ± 0.2) nm nor Ag147 with h=(2.0 ± 0.2) nm after deposition
at 165 K corresponded to the peak at h=1.7 nm. Therefore we deposited
Ag80 and Ag68 at 165 K and observed cluster heights of ≈
1.5 nm on 1 and 2 ML C60 for both cluster sizes, probably due to
their prolate shape. The subsequent annealing of the clusters up to
RT caused a change of the cluster height distribution, probably due to
Ostwald ripening, and the metastable size with the height of 1.7 nm
was formed. Thus mass selected geometrically non-magic Ag clusters
O 13: Heterogeneous Catalysis
Monday
show a different behavior at RT as geometrically magic Ag clusters.
[1] S. Duffe et al., Eur. Phys. J. D (2007), published online
O 12.9 (127) Mon 16:30 MA 005
Structure and properties of deposited size selected F e50Co50
alloy clusters — •Wolfgang Rosellen, Furkan Bulut, Renate
Kerstin Gebhardt, and Mathias Getzlaff — Institut für Angewandte
Physik, Universitätsstr.1 D-40225 Düsseldorf
Size-selected F e50Co50 alloy cluster were generated by a continuously
working Arc Cluster Ion Source (ACIS). The selection is carried out
by means of an electrostatic quadrupole. The typical size of the clusters
is between 6-12nm. The lateral size distribution and the crystalline
properties were investigate ex-situ by means of High Resolution Transmissions
Electron Microscopy (HRTEM). The alloy clusters were deposited
on a tungsten W(110) surface under UHV condition in order to
avoid oxidation. The distribution of height and size were determined
by scannning tunnelling microsopy (STM) experiments for different
sizes of the incoming particles and several deposition angles with respect
to the W(110) surface. Additionally, the structural properties of
individual F e50Co50 clusters were examined.
[1] M. Getzlaff et al., Appl. Phys. A 82 (2006) 95
[2] K. Gebhardt et al., Eur. Phys. J. D (submitted)
Time: Monday 14:00–16:30 Location: HE 101
O 13.1 (30) Mon 14:00 HE 101
Geometry of silica supported vanadium oxide particles: theoretical
core excitation spectra can provide new insight. —
•Matteo Cavalleri and Klaus Hermann — Fritz-Haber-Institut der
MPG, Berlin, Germany
The characterization of vanadia units in supported vanadium oxide
catalysts is of paramount importance for an understanding of the reactive
behavior of these materials.
Here we compare results from density-functional theory calculations
on O 1s core excitations of small model particles with experimental
data from Near-Edge X-ray Absorption Fine Structure (NEXAFS)
measurements of well-known reference compounds and of real catalytic
materials in order to determine structural properties of silicasupported
vanadia nanoparticles. This procedure provides an unambiguous
discrimination of all different oxygen species inside the particles
and overcomes limitations of previous studies using vibrational
spectroscopy where the particle-support interaction was found to hide
essential structural information.
As a result, we are able to identify unique spectroscopic features
characterizing bridging V-O-V oxygen that can be used as a fingerprint
of polymeric vanadia species. The O 1s excitations of the silica
support are found to contribute to the NEXAFS spectrum at higher
energies compared with those of the vanadia particle such that the two
contributions can easily be separated in the experiment.
O 13.2 (35) Mon 14:15 HE 101
Adsorption and dehydrogenation of ammonia at the
V2O5(010) surface: DFT cluster studies — •Mathis Gruber
and Klaus Hermann — Fritz-Haber-Institut der MPG, Faradayweg
4-6, D-14195 Berlin, Germany
Transition metal oxide catalysts are widely used for selective oxidation
reactions. However, in many cases details of the catalytic reaction
mechanisms are still under discussion. One prominent example is the
ammoxidation of propylene to acrylonitrile at transition metal oxide
surfaces (SOHIO process). This catalytic reaction includes, amongst
other steps, the adsorption and dehydrogenation of NHx, x < 4, at
the catalyst surface. We have performed theoretical studies on these
reaction steps where the catalyst is simulated by a finite section of
the V2O5(010) surface. The calculations use density-functional theory
combined with clusters modeling the surface and adsorbate system.
Calculations for the clean V2O5(010) surface show that binding energies
of the H atom are always significantly larger than of the NHx
species. Further, the substrate is found to lower corresponding dehydrogenation
energies compared with values for the gas phase reaction.
However, the lowering is too small to make dehydrogenation likely to
happen under ammoxidation reaction conditions. This suggests that
surface defects such as oxygen vacancies become important for the re-
action. Therefore, the role of oxygen vacancies for the dehydrogenation
of NHx will be discussed in detail.
O 13.3 (281) Mon 14:30 HE 101
Kinetische Monte Carlo Simulation von Oberflächenreaktionen
auf Nanopartikeln — •Lothar Kunz und
Olaf Deutschmann — Institut für Technische Chemie und Polymerchemie,
Universität Karlsruhe (TH), Engesserstr. 20, 76131 Karlsruhe
Eine Erweiterung der kinetischen Monte Carlo Methode erlaubt die
detaillierte Betrachtung von Oberflächenreaktionen auf geträgerten
Nanopartikeln und deren Support. Dabei kann zwischen Adsorptionsplätzen
auf Flächen, Kanten und Ecken der Partikel differenziert werden.
Die Methode läßt sich als Brücke zwischen Dichtefunktionalrechnungen
der Elementarprozesse und Mean-Field-Simulationen in der heterogenen
Katalyse einsetzen.
Es wird die Erweiterung der Methode sowie deren Anwendungsmöglichkeiten
vorgestellt. Eine generische Implementierung sowie
ein Editor für die Eingabe des Gitters der Oberfläche und die
Formulierung der Elementarprozesse wie Adsorption, Desorption, Diffusion
und Reaktion erlauben eine effiziente Übertragung auf unterschiedliche
Partikelformen und Reaktionen.
O 13.4 (306) Mon 14:45 HE 101
Influence of the substrate on the catalytic activity of
Au/TiO2(110) model catalysts — •Stefan Kielbassa, Menhild
Eyrich, Joachim Bansmann, and Rolf-Jürgen Behm — Institute
of Surface Chemistry and Catalysis, Ulm University, D-89069 Ulm,
Germany
In recent years, oxide supported Au catalysts and, in particular, the
low temperature CO oxidation have intensively been examined. However,
various topics, like the influence of the support on the catalytic
activity, are still controversially discussed. Here, we present results on
the influence of the chemical nature of the TiO2(110) support on the
activity of Au/TiO2(110) model catalysts. Substrates with different
surface structures and (bulk) oxidation states were prepared by using
different preparation cycles (such as annealing and sputtering steps).
After deposition of Au nanoparticles by thermal evaporation (Θ = 0.5
ML), the activity of the model catalysts was examined in a micro-flow
reactor. Samples with fully oxidized substrates are nearly catalytically
inactive, while for catalysts based on bulk-reduced substrates or
thin TiO2 films, the activity is up to 50 times higher. Atomic force microscopy
(AFM) images of the surfaces show that, on the bulk-reduced
supports, Au particle densities and sizes do not differ significantly and
thus cannot be made responsible for the observed variations in the
activity. A high activity of oxygen surface vacancies is discussed as
origin of the enhanced activity of these catalysts.

O 13.5 (94) Mon 15:00 HE 101
Olefin conversions on supported Pd model catalysts: Molecular
origins of selectivity towards isomerization and hydrogenation
— •Wiebke Ludwig 1 , Björn Brandt 1 , Jan-Henrik
Fischer 1 , Swetlana Schauermann 1 , Francisco Zaera 2 , and
Hans-Joachim Freund 1 — 1 Fritz-Haber-Institut der Max-Planck-
Gesellschaft, Berlin — 2 University of California, Riverside, USA
Understanding the mechanisms governing alkene conversions, isomerization
and hydrogenation in particular, is an important goal in catalytic
research and significant for industrial processes.
Whereas no hydrogenation is observed on Pd single crystals, it was
recently shown that hydrogenation readily occurs on small Pd particles,
presumably due to the formation of weakly-bound subsurface
hydrogen species [1].
Under realistic conditions, these reactions take place over catalysts
covered with carbonaceous species originating from the decomposition
of alkenes. The exact role of these strongly bound species is however
still not clear.
In this study, we present results on the conversion of cis- and trans-
2-butene with deuterium over a Pd model catalyst supported on a
Fe3O4 oxide film. To investigate the influence of carbonaceous species
on the reaction kinetics, we performed isothermal molecular beam
experiments combined with TPD measurements on both clean and
carbon-precovered catalysts.
[1] A.M. Doyle et al., Angew. Chem. Int. Ed. 2003, 42, 5240-5243.
O 13.6 (408) Mon 15:15 HE 101
CO oxidation on Palladium(111): Rate hysteresis and periodic
breakdowns — •Stefan Karpitschka 1 , Stefan Wehner 1 ,
Helmut Brand 2 , and Jürgen Küppers 1,3 — 1 Experimentalphysik
III, Universität Bayreuth, 95440 Bayreuth, Germany — 2 Theoretische
Physik III, Universität Bayreuth, 95440 Bayreuth, Germany — 3 Max-
Planck-Institut für Plasmaphysik (EURATOM Association), 85748
Garching, Germany
A rate-measurement-study of the catalytic oxidation of carbon monoxide
on Pd(111) surfaces in the high vacuum pressure range is presented.
The total flux of the feed gas to the surface was held constant while
its CO-fraction was varied. The existence of a regime in the feed gas
composition in which the system exhibits bistable behavior was shown
by long-time measurements. Pulse-like modulations of the feed gas
revealed that the experimentally observed high CO-fraction border of
the bistable region is determined by the equistability condition of both
phases. This behavior could be caused by the presence of predominantly
CO-covered defects exceeding the critical size for nucleation.
The experimental results and their temperature dependence are well
described by a simple mean field model containing no fit parameters.
Applying high CO-fractions in the feed gas just within the bistable
range, we furthermore observed periodic breakdowns in the catalytic
activity at a very low frequency, which were not yet reported for this
surface. Growth and decay of surface oxides as well as noise have been
tested as an origin of these periodic breakdowns.
O 13.7 (202) Mon 15:30 HE 101
Methane Oxidation on Gold — •Guido Walther 1 , Glenn
Jones 1 , Søren Jensen 2 , and Sebastian Horch 1 — 1 CAMD, Department
of Physics, DTU, 2800 Lyngby, Denmark — 2 MIC, Department
of Micro and Nanotechnology, DTU, 2800 Lyngby, Denmark
Since transportation of methane from the sources to the consumers
requires low temperature and high pressure, there is a keen interest in
transforming methane into methanol. This study aims at investigating
the fundamental process of methane oxidation on gold.
In a millireactor setup, methane oxidation was studied on various
gold catalysts. The reaction products were analyzed using a gas chromatograph
and a mass spectrometer. To study the trend in activity of
gold, a couple of catalysts of different particle sizes were used. Additional
experiments were performed on a few gold catalysts of the same
particle size, but different support materials, to emphasize the support
effect in terms of trends in stability. TEM analysis before and after
catalytic reactions document changes in particle size and shape.
Partial methane oxidation could not be observed on these catalysts.
This is consistent with the thermodynamics, which show that there is
a strong tendency of CO2 formation.
O 13.8 (437) Mon 15:45 HE 101
Reactivity of Nickel on oxide surfaces: evidence of surface
Monday
oxygen — •Yan-Chun Liu, Heiko Strauß, Andrea Berlich, and
Harald Morgner — Wilhelm-Ostwald-Institute for Physical and
Theoretical Chemistry, University of Leipzig, Linnéstraße 2, D-04103
Leipzig
The role of surface and subsurface oxygen during catalytic processes on
oxide supported metal catalysts remains a ques-tion of debate in some
cases [1,2,3]. Some controversy arises from the difficulties to identify
the position of the oxygen. Using Metastable Induced Electron Spectroscopy
(MIES) we have been able to identify adsorbed oxygen on
top of the metallic Nickel deposits on NiO layers. Furthermore, detailed
analysis of the MIE spectra provides evidence of an atomically
adsorbed Nickel species. The reactivity of the different Ni adsorbates
was evaluated by its reaction with oxygen. Results of the growth of Ni
on TiO2 by MIES are also presented.
[1]D. W. Goodman, C. H. F. Peden and M. S. Chen, CO oxidation
on ruthenium: The nature of the active catalytic surface. Surface
Science 601, L124-L126 (2007).
[2]H. Over, M. Muhler and A. P. Seitsonen, Comment on [1] Surface
Science in Press.
[3]D. W. Goodman, C. H. F. Peden and M. S. Chen, Comment on
[2] Surface Science in Press
O 13.9 (605) Mon 16:00 HE 101
Interaction of CO, CO2, O2 and H2O with Au/Rutile
TiO2(011)-(2x1)/Re(10¯10) model catalysts — •Wilhelmine
Kudernatsch 1 , Karifala Dumbuya 2 , J. Michael Gottfried 2 ,
Hans-Peter Steinrück 2 , and Klaus Christmann 1 — 1 Physikalische
und Theoretische Chemie, Freie Universität Berlin, Germany
— 2 Lehrstuhl für Physikalische Chemie II, Friedrich-Alexander-
Universität Erlangen-Nürnberg, Germany
During the last decade, the peculiar activity of Au/titania catalysts
for low-temperature CO oxidation has stimulated a wealth of studies
using TiO2 model catalyst systems. In a first step, we have studied
the epitaxy and chemical properties of titanium dioxide films grown on
rhenium surfaces under ultra-high vacuum (UHV) conditions. Titania
films were prepared by co-deposition of Ti vapor in an O2 atmosphere
of 1x10 −6 mbar at 900 K. On Re(10¯10), this procedure results in the
growth of rutile films terminated by a (2x1)-reconstructed (011) surface.
Au-containing model catalyst systems were then prepared by
controlled vapor deposition of Au onto these films.
In order to characterize the structural and chemical properties of
our model catalyst surfaces, we have studied the adsorption of CO,
CO2, and H2O on the clean and Au-covered TiO2(011)-(2x1) films by
means of temperature-programmed desorption (TPD) and low-energy
electron diffraction (LEED). To obtain information about the chemical
composition of the model catalysts in the presence of the reactants, CO
and O2, we performed in-situ measurements with high-pressure X-ray
photoelectron spectroscopy (XPS) at pressures up to 1 mbar.
O 13.10 (614) Mon 16:15 HE 101
LEEM, XPS, and STM Characterization of Oxygen Species
Relevant for the Ethylene Epoxidation on Silver — •R. Reichelt,
S. Günther, and J. Wintterlin — Ludwig-Maximilians-
Universität, 80337 München, Germany
The epoxidation of ethylene on silver catalysts is an extremely complex
reaction because of the complicated nature of the Ag/O interaction.
Several oxygen species on Ag surfaces have been identified but until
now there is no general agreement about their role for the catalytic
reaction. Using LEEM, XPS and STM we have investigated oxygen
species on Ag(111) that were prepared by thermal decomposition of
NO2. We find that the species obtained sensitively depend on the
preparation conditions which may explain part of the conflicting data
from literature. Apart from the (4x4)O phase, another oxygen species,
the so called O γ could be obtained by applying several preparation
cycles of (4x4)O phase followed by flash annealing it slightly above 570
K. Angle-resolved XPS of O γ shows a surface-like behaviour. However
XPS data surprisingly show that it is stable up to 800 K, suggesting
a strongly bound species. Another species could be prepared by dosing
CO2 on the (4x4)O structure which meanwhile vanishes in XPS.
In STM the local decomposition of (4x4)-patches and related stripe
phases evidenced a reaction of the (4x4)O adsorption layer with CO2.
We can propose the formation of two surface carbonate species evidenced
by two well separated CO2 desorption peaks in TDS. It is also
demonstrated that after using NO2 readsorption of residual gas species
can occur, an apparent cause for misinterpretations of spectra.

O 14: Surface or Interface Magnetism
Monday
Time: Monday 15:15–16:45 Location: MA 043
O 14.1 (77) Mon 15:15 MA 043
Structure and magnetism in nanoscale FeCo alloys —
•Stefanos Tzivanakis, Alejandro Diaz-Ortiz, and Helmut Dosch
— Max-Planck-Institut für Metallforschung, Stuttgart, Germany
The interplay between dimensionality, ordering and magnetism has
been investigated on two-dimensional Fe-Co alloys. Our first-principles
density-functional calculations on free-standing and Mo supported alloys
show a linear dependence of the magnetic moment with atomic
concentration and lattice constant. Lattice strain and charge transfer
play a fundamental role in determining the magnetism and phase
stability of two-dimensional Fe-Co alloys. Cluster expansions for the
energy and the magnetic moment were used to exhaustively search
ground-state and large-magnetic-moment configurations.
O 14.2 (120) Mon 15:30 MA 043
Spin-resolved photoemission from antiferromagnets: Cr films
on Fe(110) — •Peter Bose 1 , Peter Zahn 1 , Jürgen Henk 2 , and Ingrid
Mertig 1 — 1 Martin Luther University Halle-Wittenberg, Halle,
Germany — 2 Max Planck Institute of Microstructure Physics, Halle,
Germany
Layer-wise antiferromagnetic films grown on ferromagnets are wellsuited
systems for investigating exchange coupling, especially for
studying exchange bias. Mn and Cr films have a profound effect on
the spin-dependent transport in magnetic tunnel junctions, leading
in particular to magnetoresistance oscillations with a period of 2 ML
(e. g. [1]). Another recent example are 2-ML oscillations of the spin
polarization in spin- and angle-resolved photoemission from Cr films
on Fe(110) [2].
To understand the origin of the oscillations in Cr/Fe(110) we performed
first-principles relativistic electronic structure and photoemission
calculations. In particular the Cr-thickness dependence of the spin
polarization at normal emission will be addressed and compared with
experiment [2]. Further, magnetic linear dichroism will be discussed.
[1] P. Bose, I. Mertig, J. Henk, Phys. Rev. B 75 (2007) 100402(R).
[2] Yu. S. Dedkov, Eur. Phys. J. B 57 (2007) 15.
O 14.3 (21) Mon 15:45 MA 043
A possible source of spin-polarized electrons: The inert
graphene/Ni(111) system — •Yury Dedkov 1 , Mikhail Fonin 2 ,
and Clemens Laubschat 1 — 1 Institut für Festkörperphysik, Technische
Universität Dresden, Germany — 2 Fachbereich Physik, Universität
Konstanz, Germany
We report on an investigation of spin-polarized secondary electron
emission from the chemically inert system: graphene/Ni(111). An
ordered passivated graphene layer (monolayer of graphite, MG) was
formed on Ni(111) surface via cracking of propylene gas. The spinpolarization
of the secondary electrons obtained from this system upon
photoemission is only slightly lower than the one from the clean Ni
surface, but does not change upon large oxygen exposure. These results
suggest to use such passivated Ni(111) surface as a source of
spin-polarized electrons which is stable against adsorption of reactive
gases.
O 14.4 (158) Mon 16:00 MA 043
Morphology and magnetism of compact 3d-metal nanoclusters
on surfaces — •Violetta Sessi 1 , Jian Zhang 1 , Klaus
Kuhnke 1 , Axel Enders 2 , Jan Honolka 1 , and Klaus Kern 1 —
1 Max-Planck Institut für Festkörperforschung - Stuttgart — 2 Dept.
of Physics and Astronomy - University of Nebraska - Lincoln
Systems of isolated 3d-metal clusters with nanometer size are known
to behave as a superparamagnetic ensemble in which each cluster is a
ferromagnetic entity. Only below a certain temperature (blocking temperature
TB) thermal fluctuations are suppressed and cluster spins are
aligned on the time scale of an experiment. Blocking can be enhanced
either by increasing the surface induced magnetic anisotropy energy or
by cluster-cluster interactions e.g. RKKY type interactions mediated
through the substrate.
In order to study these effects we fabricated small, compact metal
clusters by buffer layer assisted growth (BLAG [1]). Using this method
the cluster formation takes place on a surface-supported noble gas
buffer layer and the cluster growth is totally independent of the substrate.
We analyzed Co and Fe clusters supported on Ag(111) and Pt(111)
by STM and by XMCD. The sample preparation using the same BLAG
procedure lead to very different magnetic properties for unstrained 3D
nano-clusters on Pt(111) and Ag(111) substrates, which can be attributed
to the strong spin-orbit coupling of the Pt with respect to
Ag. The results will be compared to ab initio calculations.
[1] J.H. Weaver, G.D. Waddill, Science 251, 1444 (1991)
O 14.5 (445) Mon 16:15 MA 043
Bottom-up creation and adsorption of hybrid organicinorganic
magnetic molecules on metal substrates — •Daniel
Wegner 1 , Mark Pederson 2 , Ryan Yamachika 1 , Yayu Wang 1 ,
Bart M. Bartlett 3 , Jeffrey R. Long 3 , and Michael F. Crommie 1
— 1 Department of Physics, University of California, Berkeley, and
Materials Science Division, Lawrence Berkeley National Laboratory,
Berkeley, CA, USA — 2 Center for Computational Materials Science,
Naval Research Laboratory, Washington, DC, USA — 3 Department of
Chemistry, University of California, Berkeley, CA, USA
Charge-transfer compounds of the type M[TCNE]x (M: transitionmetal,
TCNE: tetracyanoethylene) form an important group of
molecule-based ferromagnets with potential applications due to their
high Curie temperatures. Despite extensive studies the origin of magnetic
coupling is not well understood due to a lack of sufficient structural
characterization, largely attributed to disordered growth. Using
a bottom-up approach, we have used a scanning tunneling microscope
to arrange single V atoms and TCNE molecules to form charge
transfer complexes of different sizes and geometries. By tunneling
spectroscopy we prove chemical bonding as well as the emergence of
magnetic properties. Special attention is given to the influence of the
metallic substrate on the properties of TCNE and the implications for
future organic-inorganic nanoscopic devices.
O 14.6 (647) Mon 16:30 MA 043
Optical and magnetic properties of Ni films grown on
Cu(110)-(2x1)O and Cu(110)-(2x3)N — •Richard Denk,
Michael Hohage, Lidong Sun, and Peter Zeppenfeld — Atomic
Physics and Surface Science Division, Institute for Experimental
Physics, Johannes Kepler Universiät Linz, Austria
In the last years many studies concerning the growth and magnetic
properties of thin ferromagnetic layers on nonmagnetic metallic substrates
have been reported. While Ni on Cu(001) is one of the most
prominent and best studied model systems, significantly less attention
has been given to the Cu(110) surface, due to the less favourable
growth mode of Ni on the bare Cu(110) surface. We have utilised
Reflectance Difference Spectroscopy (RDS), to investigate the growth
and the magnetic properties of thin Ni-films on two Cu(110) templates,
namely Cu(110)-(2x1)O and Cu(110)-(2x3)N. The regular RDS signal
allows for real time monitoring of the film growth and for film characterization.
In addition, the sensitivity of the RD-spectrometer to the
polar Magneto-Optical Kerr Effect (RD-MOKE) [1] has been used, in
combination with an in situ magnet, to study the magnetic properties
of the Ni films. Further characterization of the films was performed
with STM and LEED/AES. Finally we report on adsorbate-induced
(CO) quenching and spin reorientation of the magnetism of the Ni
films. References: [1] Th. Herrmann, K. Lüdge, W. Richter, K.G.
Georgarakis, P. Pouloloulos, R. Nünthel, J. Lindner, M. Wahl and N.
Esser, Phys. Rev. B 73, 134408 (2006)

O 15: Methods: Other Experimental Techniques I
Monday
Time: Monday 15:30–16:45 Location: MA 041
O 15.1 (676) Mon 15:30 MA 041
Tip-enhanced Raman Spectroscopy with a High NA
Parabolic Mirror — •Dai Zhang, Catrinel Stanciu, Markus
Sackrow, Kai Braun, and Alfred J. Meixner — Institut für
Physikalische und Theoretische Chemie, Auf der Morgenstelle 8, 72076
Tübingen
Tip-enhanced Raman spectroscopy (TERS) allows chemical information
collection with a sensitivity reaching single molecule level and a
spatial resolution in the range of 10 nm. The efficient excitation and
collection of the plasmon-enhanced optical signals of species present in
the tip-sample nano-gap between the tip apex and the substrate are
crucial for TERS. The optical excitation field has to be polarized along
the gap and the field emerging form the gap has to be observed from
the side. These geometrical restrictions require the side-illumination
and light collection using a low-NA lens, limiting the sensitivity of the
measurements. We present a novel method to overcome this problem
based on a confocal optical microscope with a high NA parabolic
mirror for the excitation and the detection instead of the objective
lens. The sample is arranged co-axially with the axis of the parabolic
mirror and the gap is centered in the focus. Hence localized plasmons
can be efficiently excited parallel to the surface we illuminate
the parabolic mirror with a radially polarized doughnut mode and the
field developed from the gap can effectively be collected by the rim of
the parabolic mirror and directed to the detection system. Examples
about tip-enhanced imaging and spectroscopy of nanomaterials and
biological systems will be shown to demonstrate the efficiency of this
modification.
O 15.2 (199) Mon 15:45 MA 041
Static speckle experiments using white synchrotron radiation
— •Tushar Sant, Tobias Panzner, and Ullrich Pietsch — Solid
State Physics Group, University of Siegen, 57068 Siegen, Germany
Static speckle experiments were performed using coherent white Xray
radiation from a bending magnet at BESSYII. Semiconductor and
polymer surfaces were investigated under incidence condition smaller
than the critical angle of total external reflection. The scattering pattern
of the sample results from the illumination function modified by
the surface undulations [1]. The periodic oscillations are caused by the
illumination function whereas other irregular features are associated
with sample surface. The speckle map of reflection from a laterally
periodic structure like GaAs grating is studied [2]. Under coherent
illumination the grating peaks split into speckles because of fluctuations
on the sample surface. It is important to understand which
length scales on the sample surface are responsible for the oscillations
in reflectivity map. To investigate this experiments are done with a triangular
shaped sample. Different parts of the sample are illuminated
with the footprint on the sample larger or smaller than the actual sample
length. This gives prior information about total illuminated area
on the sample. Using this additional information a detailed surface
profile of the sample is reconstructed.1. Pietsch U, et al. Physica B-
Condensed Matter, 357 (2005) 45. 2. Panzner T, et al. Thin Solid
Films, 515 (2007) 5563.
O 16: Invited Talk Ulrike Diebold
O 15.3 (298) Mon 16:00 MA 041
TER-XSW investigation of CoPt3 nanoparticle films on
Si and Sapphire substrates — •Ardalan Zargham 1 , Thomas
Schmidt 1 , Radowan Hildebrand 1 , Bernhard Gehl 2 , Marcus
Bäumer 2 , and Jens Falta 1 — 1 Institute of Solid State Physics, University
of Bremen, Germany — 2 Institute of Physical Chemistry, University
of Bremen, Germany
CoPt3 bimetallic colloidal nanoparticle films on Si and sapphire substrates
are investigated concerning the real space distribution of Co
and Pt in specifically defined layers above the substrates as well as the
structural dependancy on plasma treatments. TER-XSW is considered
to be a suitable method for these types of investigation because
of its ability of material specification in vertical resolution. It is simultaneously
possible to understand the surface morphology by means of
XRR.
O 15.4 (449) Mon 16:15 MA 041
Coherent reflectivity using white synchrotron radiation —
•Tobias Panzner, Tushar Sant, and Ullrich Pietsch — Universität
Siegen, Festkörperphysik, Walter-Flex-Str. 3, 57068 Siegen, Germany
Using coherent white synchrotron radiation in the hard x-ray region
for reflectivity experiments one have access to sample properties on a
nanometer scale in principle. To extract the wanted information from
the performed measurements so called phase retrieval algorithms are
necessary. The authors developed a straight forward simulation program
based on a spatial limited atomic flat surface to evaluate the
influence of different parameters on the coherent scattered signal in
the detector plane. These simulations can explain some interesting
features of the measurements and shows unexpected results for the
influence of the so called illumination function.
O 15.5 (643) Mon 16:30 MA 041
BEST - Beamline for Education and Scientific Training -
A new VUV beamline at BESSY II — •Thorsten Zandt,
Christoph Janowitz, and Recardo Manzke — Institut für Physik,
Humboldt-Universität zu Berlin, Newtonstraße 15, 12489 Berlin
A high-resolution 5 m normal–incidence–monochromator beamline behind
the dipole DIP 03–1B at BESSY II is described. It covers the
energy range of 3–40 eV. The beamline is designed for high-resolution
photoelectron spectroscopy utilizing a Scienta SES–2002 electron analyzer,
which is permanently placed as an endstation at the beamline. A
high precision manipulator on a closed-cycle He cryostat allows angleresolved
measurements over 2π steradian below 10 K. For BEST it
is planned to introduce and qualify continuously students and young
scientists into the fascinating possibilities of synchrotron radiation research.
Optical design of the beamline and preliminary performance
results will be discussed.
Time: Monday 17:00–17:45 Location: HE 101
Invited Talk O 16.1 (9) Mon 17:00 HE 101
The Surfaces of Bulk Semiconducting Metal Oxides —
•Ulrike Diebold — Department of Physics, Tulane University, New
Orleans, La 70118, U.S.A.
Semiconducting metal oxides such as TiO2, ZnO, SnO2, and In2O3
find applications in a large number of technical fields, e.g., they are
used photocatalysts, gas sensors, and electronic materials. In many
of these applications, the fundamental surface properties play a major
role. In the talk, we will give an overview of some of our recent research
results on investigating bulk oxide single crystals with Scanning Tunneling
Microscopy and related spectroscopic techniques. Many of our
results are verified with DFT calculations, and the fruitful interplay
between theory and experiment will be discussed.

O 17: Invited Talk Sergey Borisenko
Monday
Time: Monday 17:45–18:30 Location: HE 101
Invited Talk O 17.1 (16) Mon 17:45 HE 101
Charge-Density Waves and Superconductivity in Two Dimensions:
The ARPES View — •Sergey Borisenko — Institute
for Solid State Research, IFW-Dresden
An interaction between electrons and phonons results in two fundamental
quantum phenomena in solids: in three dimensions it can turn
a metal into a superconductor whereas in one dimension it can turn
a metal into an insulator. In two dimensions (2D) both superconductivity
and charge-density waves (CDW) are anomalous. In superconducting
cuprates, critical transition temperatures are unusually high
and the energy gap may stay unclosed even above these temperatures
(pseudogap). In CDW-bearing dichalcogenides the resistivity below
the transition can decrease with temperature even faster than in the
normal phase and a basic prerequisite for the CDW, the favorable nesting
conditions seems to be absent. We demonstrate that the normalstate
pseudogap also exists in two of the most studied 2D examples,
dichalcogenides 2H − T aSe2 and 2H − NbSe2, and the formation of
CDW is driven by a conventional nesting instability, which is masked
by the pseudogap. On the other hand, we find a very unusual behavior
of the pseudogap in underdoped Dy-BSCCO and Tb-BSCCO
as a function of temperature overlooked in previous ARPES studies.
The magnitude, character, anisotropy and temperature evolution of
the 2D-CDW pseudogap are intriguingly similar to those seen in superconducting
cuprates.
O 18: Poster Session I - MA 141/144 (Atomic Wires; Size-Selected Clusters; Nanostructures;
Metal Substrates: Clean Surfaces+Adsorption of Organic / Bio Molecules+Solid-Liquid
Interfaces+Adsorption of O and/or H; Surface or Interface Magnetism; Oxides and Insulators:
Clean Surfaces)
Time: Monday 18:30–19:30 Location: Poster F
O 18.1 (122) Mon 18:30 Poster F
Infrared studies of gold nanochains on the Si(557) stepped
surface — •Chung Vu Hoang, Markus Klevenz, Robert Lovrincic,
Olaf Skibbe, Frank Neubrech, and Annemarie Pucci —
Kirchhoff-Institut für Physik der Universität Heidelberg
Gold nanochains on Si(557) will be fabricated under ultra high vacuum
conditions. The terraces of the stepped surface serve as onedimensional
diffusion channels, which leads to the formation of parallel
monoatomic chains. Due to the appearance of metallic chains an
anisotropic change of the conductivity of the substrate surface can be
expected. The chain growth process and conductivity dependence versus
gold composition will be investigated in-situ by using transmittance
infrared spectroscopy (IRS) with light polarized parallel and perpendicular
to the chains, respectively. IRS is a well-established method to
observe conductivity changes on surfaces. The temperature dependent
behaviour of gold chains will be studied as well.
O 18.2 (343) Mon 18:30 Poster F
Self-assembled Pt nanowires on Ge(001) — •Cosima Schuster
and Udo Schwingenschlögl — Institut für Physik, Universität
Augsburg, D-86135 Augsburg
Semiconductor surfaces attract great attention due to various effects
of self-organization. For example, adsorption of Pt on the Ge(001)
surface results in stable Pt nanowires. Because self-organization of adsorpted
atoms relys on strong interaction with surface states, accounting
for the full structural relaxation is a prerequisite for describing the
electronic properties of a covered surface in an adequate manner.
In a first step, we have thus investigated the surface electronic structure
of the c(4 × 2) reconstructed Ge(001) surface by means of DFT
band structure calculations In particular, it is possible to attribute
each state to either the Ge dimer bonds or the dangling surface bonds.
The Ge–Pt surface is investigated in a second step. The formation
of Pt chains on Ge(001) is accompanied by the partial breakup of
the Ge surface dimers. We show that the surface electronic structure
is significantly perturbed due to Ge–Pt interaction. Especially, we
find remarkable shifts of Ge states towards the Fermi energy. As a
consequence, the topmost Ge layers are subject to a metal-insulator
transition.
O 18.3 (459) Mon 18:30 Poster F
CVD synthesis of isolated carbon nanotube peapods on substrates
— •Christian Spudat, Carola Meyer, and Claus Schneider
— Research Centre Jülich, Institute for Solid State Research, Electronic
Properties, 52425 Jülich
Carbon nanotubes filled with C60 Fullerenes, so-called ”peapods”,
form a model system for studying one-dimensional molecular chains
coupled to a ballistic conductor. C60 interacts only weakly with the
surrounding SWCNT. Thus, small interactions such as phonon or spin
coupling should be observable in transport measurements. In general,
these peapods are synthesized by filling *bulk* material, and they are
successively dispersed on a substrate from solution. The disadvantage
of this method is that the nanotubes are rather short due to prior
sonication and bundle together in ropes. Thus, characterisation of individual
peapods including transport measurements is rather difficult.
Clean and isolated SWCNTs for transport measurements can be grown
using chemical vapour deposition. Here, we present a method to fill
such SWCNTs with Fullerenes directly on substrates using vacuum
filling in an evaporation chamber. We characterize the SWCNTs and
peapods after each processing step using AFM, Raman and HRTEM.
The main focus is the investigation of defects caused by thermal oxidation
and the purification of the synthesized peapods.
O 18.4 (551) Mon 18:30 Poster F
Atomic Nanowires of Self-Organized Pt on Ge(001) –
Structural Elements and Electronic Properties — •Marc
Wisniewski 1 , Jörg Schäfer 1 , Sebastian Meyer 1 , Andrei
Stekolnikov 2 , Ralph Claessen 1 , and Friedhelm Bechstedt 2 —
1 Physikal. Institut, Universität Würzburg, D-97074 Würzburg —
2 Inst. f. Festkörpertheorie u. -optik, Universität Jena, D-07743 Jena
A special class of nanowires is formed by Pt on the Ge(001) surface. Its
low-energy electron states have been explored by scanning tunneling
microscopy (STM). A dimerization along the chains is observed at high
bias, which might suggest a charge density wave. However, dimer elements
also exist with sideways orientation, thus being inconsistent with
such picture and instead indicating dimerized back-bonding. Most significantly,
for states near the Fermi level, such dimerization along the
nanowires is no longer observed. Here a spatially rather uniform charge
density is detected. The nanowires can be imaged down to the millivolt
regime, indicating metallic character, and tunneling spectroscopy
shows finite zero-bias conductivity at room temperature. Ab-initio
simulation of the structure has been performed, and a model for the
reconstruction at 0.25 ML coverage has been derived. It well reproduces
the STM data for various biases. We find that Pt-Ge bonds are
favored over Pt-Pt bonds. The prominent dimers along the chain are
explained by Ge dimers, while a row of alternating Pt and Ge atoms is
identified next to them. This novel tetramer-dimer-chain model consistently
explains the wire geometry and its subtle asymmetry. It also
accounts for the differential conductivity near the Fermi level.
O 18.5 (242) Mon 18:30 Poster F
Adsorbate induced refacetting: Pb chains on Si(557) —
•Annemarie Schuster, Marcin Czubanowski, Shima Akbari, Herbert
Pfnür, and Chistoph Tegenkamp — Leibniz Universität Hannover,
Institut für Festkörperphysik, Appelstr. 2, 30167 Hannover
The adsorption of monolayers (ML) of Pb on Si(557) followed by annealing
to 640K results in the formation of an atomic wire structure.

Recently performed transport measurements have shown, that below
78K only along the wires transport occurs, whereas in the perpendicular
direction an insulating behavior is found [1]. This finding depends
sensitively on the Pb chain structure. Therefore, we have investigated
the structure on the atomic and mesoscopic scale by high-resolution low
energy electron diffraction (SPA-LEED). Depending on Pb coverage in
the range between 1.2 and 1.6ML, formation of various facets [(112),
(335), (223)] is induced by the Pb layers, in agreement to recent STM
results [2]. The facet orientation in general does not coincide with the
macroscopic orientation of the (557) surface. After an initial annealing
step to 600 K, starting with 1.2ML of Pb, this new vicinality can be
tuned gradually and reversibly even at temperatures below 180K by
further adsorption, but also by desorption of Pb. Superstructures of
the Pb layers on the terraces were identified on the most stable (223)
facets, showing a correlation of adjacent terraces. Here parts of the
devil’s staircase and the striped-incommensurate (SIC) phases known
from Si(111) surfaces develop [3]. [1]C. Tegenkamp et.al. PRL 95
(2005) 176804 [2] H. Murikawa et.al. PRB 76 (2007) 165406 [3]Yakes
et.al. PRB 69 (2004) 224103
O 18.6 (374) Mon 18:30 Poster F
Two-dimensional electronic structure of dysprosium silicide
nanowires on Si(557) — •Martina Wanke 1 , Karolin Löser 1 ,
Gerd Pruskil 1 , Petar Stojanov 2 , Eric Huwald 2 , John Riley 2 ,
and Mario Dähne 1 — 1 Institute of Solid State Physics, Technical
University Berlin, D-10623 Berlin, Germany — 2 School of Physics, La
Trobe University, Bundoora, VIC 3086, Australia
Rare earth silicide nanostructures are of high interest because of their
extremely low Schottky barriers on n-Si(111) [1] and the formation
of nanowires with one-dimensional metallicity on Si(001) [2]. In this
work, the self-organized growth of monolayer-thick dysprosium silicide
nanowires on Si(557) has been studied by scanning tunnelling
microscopy and angle-resolved photoelectron spectroscopy. The bare
Si(557) surface is characterized by (111) and (112) facets [3]. Accordingly,
we observed the nanowires forming on the (111) facets. For
coverages of 2 ˚A dysprosium, nanowire lengths exceeding 1 µm and
widths around 5 nm were found. Their electronic structure shows
a strong dispersion both parallel and perpendicular to the nanowires,
which is assigned to the band structure of DySi2 monolayers on Si(111).
At higher coverages similar nanowires are observed at the (111) facets,
which show characteric structural properties of the multilayer growth
and also the Dy3Si5 multilayer band structure.
This work was supported by DFG, project number Da 408/11.
[1] S. Vandré et al., Phys. Rev. Lett. 82, 1927 (1999).
[2] C. Preinesberger et al., J. Appl. Phys. 91, 1695 (2002).
[3] A. Kirakosian et al., Appl. Phys. Lett. 79, 1608 (2001).
O 18.7 (273) Mon 18:30 Poster F
Structural influence towards transport: Pb wires on Si(557)
— •Marcin Czubanowski, Annemarie Schuster, Christoph
Tegenkamp, and Herbert Pfnür — Institut für Festkörperphysik,
Leibniz Universität Hannover, Deutschland
The adsorption of 1.3 ML of Pb on Si(557) substrates followed by
annealing at 640K leads to the formation of an anisotropic metallic
structures as revealed by conductivity, STM and ARPES measurements.
Those structures below 78K show metallic conductance along
the Pb-chains, whereas in the direction perpendicular to the chainstructure
an insulating behavior has been found. Additionally, ARPES
measurements have shown that below Tc, those structures undergo
complete Fermi nesting in the direction normal to the structure. In
our recent LEED experiments, the chain structure has been systematically
investigated as a function of temperature by means of SPA-LEED
analysis. The adsorption of Pb transforms (locally) the surface into
a regularly stepped (223) facet below Tc. This structure undergoes
reversibly a commensurable-incommensurable phase transition at Tc
= 78K as judged from changes in position of step diffraction spots in
the [11 2] direction and also the periodicity of domain wall reflexes in
the [11 0] direction. Furthermore, the transition depends crucially on
the Pb coverage. If the steps are decorated by excess Pb, e.g. 1.5ML,
the transition is strongly suppressed.
O 18.8 (28) Mon 18:30 Poster F
Metastable Impact Electron Spectroscopy (MIES) of intermediate
nanocatalytic states — •Christopher Harding,
Vahideh Habibpour, Sebastian Kunz, and Ulrich Heiz — Lehrstuhl
für Physikalische Chemie, Technische Universität München,
Metastable ion electron spectroscopy (MIES) is a well established spec-
Monday
troscopic technique that can be applied in a new and novel way to
nanocatalysts. It has several interesting benefits which include a dramatically
enhanced sensitivity to electron orbitals with low ℓ-values
(compared with UPS) and very low collision velocities leaving the surface
virtually untouched.
Thin oxide films and mass-selected metal clusters form the basis
of nanocatalysts and are thus of primary importance. In the MIES
spectra high sensitivity to sub-1%ML coverages of clusters and also a
strong enhancement of various spectral regions which give information
on intermediate states in oxidation reactions can be seen.
According to theoretical predictions cluster-oxides intermediates are
formed and play an important role in the catalysis of the CO oxidation
reaction. These important and interesting predictions are made, based
on size selected Pd clusters on MgO films. Using a laser vaporisation
cluster source size selected clusters of Pd9 and Pd30 were deposited
onto MgO films and this mechanism investigated. The experimental
MIES studies confirm the intermediate oxide formation and illustrates
other intriguing aspects of the Pd-oxide intermediate state.
O 18.9 (37) Mon 18:30 Poster F
Size-selected clusters on surfaces studied by local probe: An
experimental setup and first results — •Markus Bieletzki 1 ,
Marina Pivetta 1 , Clemens Barth 2 , and Ulrich Heiz 1 —
1 Lehrstuhl für Physikalische Chemie, Technische Universität München,
Lichtenbergstr. 4, D-85748 Garching, Germany — 2 CRMCN-CNRS,
Campus de Luminy, Case 913, 13288 Marseille Cedex 09, France
During the last decade it has been shown by several groups that clusters
with sizes of up to about 30-40 atoms reveal distinct chemical properties
which change as function of the precise number of atoms[1,2].
In these experiments the model catalysts were prepared by the deposition
of size-selected clusters from the gas phase at low temperatures.
Whereas there is strong indication that the clusters remain intact upon
deposition, little is known about the dynamics (stability, diffusion, agglomeration)
of the clusters at elevated temperatures and under reaction
conditions. In order to study the stability of size-selected clusters
on oxide surfaces and thin oxide films we built a cluster deposition
experiment with size-selection which is coupled to an OMICRON variable
temperature scanning probe microscope. In this contribution we
present the technical details and specifications of the new experimental
setup and show first AFM- and STM-images of cluster assembled
materials.
[1] K. Judai, S. Abbet, A. S. Wörz, U. Heiz, C. R. Henry, Journal
of the American Chemical Society 2004, 126, 2732.
[2] S. S. Lee, C. Y. Fan, T. P. Wu, S. L. Anderson, Journal of the
American Chemical Society 2004, 126, 5682.
O 18.10 (143) Mon 18:30 Poster F
Calculations of two-particle correlation functions at surfaces
— •Yaroslav Pavlyukh and Jamal Berakdar — Institut für Physik,
Martin-Luther-Universität Halle-Wittenberg, Heinrich-Damerow-Str.
4, 06120 Halle
The spectra of the electron-induced electron pair from surfaces [1] carry
information on the short-range charge and spin correlations.
We show in this contribution how the measured angular and energy
correlation within the electron pair relates to the spin-resolved
spectral density of the sample and the screened Coulomb interaction.
Both quantities we inspect theoretically by means of a combination
of many-body theory and quantum chemistry methods based on the
configuration interaction.
[1] Schumann et al., Physical Review Letters 95, 117601 (2005)
O 18.11 (151) Mon 18:30 Poster F
Spatially resolved bonding and antibonding states on a silver
dimer on Ag(111) — •Alexander Sperl 1 , Jörg Kröger 1 ,
Nicolas Neél 1 , Henning Jensen 1 , Richard Berndt 1 , Andreas
Franke 2 , and Eckhard Pehlke 2 — 1 Institut für Experimentelle und
Angewandte Physik, Christian-Albrechts-Universität zu Kiel, D-24098
Kiel, Germany — 2 Institut für Theoretische Physik und Astrophysik,
Christian-Albrechts-Universität zu Kiel, 24098 Kiel, Germany
Individual silver dimers were fabricated by single-atom manipulation
using the tip of a low-temperature scanning tunneling microscope.
Combining spatially resolved scanning tunneling spectroscopy of the
dimer with density functional theory calculations bonding and antibonding
electron states are identified. While bonding states contribute
to the local density of states mainly in the center of the dimer,
antibonding states are localized at the atom sites. The evolution of
monomer to dimer unoccupied resonances was monitored as a function

of decreasing mutual silver atom distance and found to shift toward
the Fermi level.
O 18.12 (168) Mon 18:30 Poster F
Reaction Properties of Size-selected Silver Clusters Supported
on LTA Zeolite — •Amgalanbaatar Baldansuren and
Emil Roduner — Institute of Physical Chemistry, University of
Stuttgart, Stuttgart, Germany
Size-selected clusters are important to fundamental investigations. Silver
containing catalysts were prepared by aqueous ion exchange of Ag +
against Na + cations in an LTA zeolite. A recent project deals with
continuous wave and pulse EPR investigations into adsorption interactions
of ethylene, oxygen, and nitrogen monoxide with supported
silver clusters. EPR is quite straightforward to analyze structures and
electronic properties of paramagnetic clusters. The present work is
restricted to monitoring the activity of the Ag +
6 cluster; however, depending
on the metal loading, Ag0 , Ag0 3 and Ag+ 4 clusters have been
formed in the LTA pores as well. The aim of the project is to discern
size-dependent effects by directly looking at the centre of potentially
catalytic activity.
A well-defined cluster composed of 6 equivalent silver nuclei was
obtained after oxidation and hydrogen reduction. As the unpaired
spin density distribution is strongly affected by reactions with gas
molecules, the symmetric structure of Ag +
6 turns into less-compact
or smaller clusters. After ethylene adsorption a weak proton hyperfine
coupling was resolved by ENDOR. HYSCORE experiments determined
that the unpaired spin density is mostly on the adsorbed
ethylene and no longer on the cluster. Products of the catalytic conversion,
e.g. the NO2 formed on the cluster surface after NO adsorption,
exhibits molecular motion at temperatures between 30 K and 125 K.
O 18.13 (432) Mon 18:30 Poster F
Oxidation/Reduction of Aun (n=2-13) clusters on SiO2/Si
and HOPG — •Rainer Dietsche 1 , Dong Chan Lim 1 , Moritz
Bubek 1 , Thorsten Ketterer 1 , Young Dok Kim 2 , and Gerd Ganteför
1 — 1 Dep. of Physics, University of Konstanz, Konstanz, Germany
— 2 Dep. of Chemistry, Sungkyunkwan University, Suwon, Korea
Gas phase Au clusters with less than 20 atoms show a pronounced evenodd
alternation in their oxidation behaviour. This behaviour is due to
the unpaired electron in case of even-numbered anions. For clusters
deposited on metal oxides this pattern vanishes. In our experiment Au
cluster anions are soft-landed on silica and graphite. Oxidation and
reduction are studied by X-Ray Photoelectron Spectroscopy (XPS).
For Aun (n=2-13) clusters on Si wafers covered with native oxide
layers the even-odd pattern in oxidation behaviour still is observed.
This indicates that the cluster-substrate interaction is weak enough to
preserve some of the gas phase properties of the clusters [1].
In a second step, the samples are removed from the UHV system
and immersed into water or NaOH solution. The samples exposed to
water still exhibit similar chemical properties, whereas treatment with
NaOH solution results in an inversion of the even-odd alternation.
In case of Aun (n=2-9) clusters on sputtered HOPG an even-odd pattern
is not observed. However, Au8 more readily reacts with atomic
oxygen compared to the other clusters. STM measurements of Au7
clusters show that this cluster exhibits two layer, 3D structures [2].
[1] D.C. Lim et al., ChemPhysChem 7, 1909 (2006)
[2] D.C. Lim et al., Chem. Phys. Lett. 439, 364 (2007)
O 18.14 (600) Mon 18:30 Poster F
Softlanding and STM imaging of Ag309 clusters on 1 and
2 monolayers C60/HOPG — •L. Patryarcha 1 , S. Duffe 1 , T.
Richter 1 , B. Sieben 1 , H. Hövel 1 , C. Yin 2 , B. von Issendorff 2 , and
M. Moseler 3,4 — 1 Technische Universität Dortmund, Experimentelle
Physik I — 2 Universität Freiburg, Fakultät für Physik — 3 Fraunhofer-
Institut für Werkstoffmechanik IWM, Freiburg — 4 Freiburg Materials
Research Center
At 165 K Ag309 clusters were deposited on HOPG functionalized with
C60 and imaged with STM at 77 K. With HOPG at room temperature
(RT) during C60 evaporation areas of some 100 nm stayed uncovered,
and 2 ML islands were formed on 1 ML C60 planes. On areas with
1 and 2 ML C60 we observed very narrow cluster height distributions
with h=(2.4 ± 0.2) nm. By annealing Ag309/C60/HOPG we observed
that the cluster height stayed stable for more than 12 h at RT on 1 and
2 ML C60. The clusters on free HOPG areas became mobile during
annealing at 265 K and moved to the edges of the C60 areas. The RT
stability of Ag309/C60/HOPG is in contrast to the observations for
Monday
Ag561 and Ag309 on 1 and 2 ML C60/Au(111) which were deposited
at 165 K and annealed up to RT. For the samples with an Au(111)
substrate we observed that the cluster height on 1 ML C60 decreased
and finally all clusters disappeared [1]. Molecular dynamics calculations
show that there is a low barrier height for the transport of Ag
atoms through the C60 film on 1 ML C60/Au(111) which should be
much higher for clusters on 1 ML C60/HOPG.
[1] S. Duffe et al., Eur. Phys. J. D (2007), published online
O 18.15 (679) Mon 18:30 Poster F
Size-dependent Photoabsorption and Photoemission of Supported
Silver Clusters and Silver Cluster-Biomolecule Hybrid
Systems — •Roland Mitric, Christian Bürgel, Jens Petersen,
Alexander Kulesza, and Vlasta Bonacic-Koutecky —
Humboldt-Universität zu Berlin, Institut für Chemie, Brook-Taylor-
Str. 2, D-12489 Berlin, Germany
Silver clusters interacting with different environments such as surfaces
or biomolecules exhibt fascinating absorption and emissive properties
which can be exploited for biosensing and optoelectronic applications.
We address theoretically size dependent structural and optical properties
of silver clusters Agn (n=2,4,6,8) suppported on MgO surface
as well as optical properties of silver-cluster tryptophan hybrid systems
Trp-Ag + n (n=1-9). Our results on supported silver clusters provide
insight into the mechanism responsible for absorption and emission
patterns arising from interaction between the excitation within
the cluster and the environment. We demonstrate that small clusters
such as Ag4 are good candidates for fluorescence centers in the visible
regime. Furthermore, in the Trp-Ag + n hybrid system we identified
different types of charge transfer between the silver and biomolecule
subunits. Remarkably, we observe a strong reduction of the photofragmentation
yield in Trp-Ag +
9 in comparison with free Ag+ 9 which may
be attributed to energy dissipation by fluorescence. Thus, the unique
optical properties of supported silver nanoclsuters combined with the
specific bio-recognition of biomolecules will provide fundamentals for
the future development of fluorescent nanocluster-based biochips.
O 18.16 (693) Mon 18:30 Poster F
Comparing Resonant 2p X-ray Absorption of Size-selected
Cobalt Clusters on Cu(100) and in a Linear Paul Trap —
•Vicente Zamudio-Bayer 1 , Leif Glaser 2 , Konstantin Hirsch 1 ,
Philipp Klar 1 , Andreas Langenberg 1 , Fabian Lofink 1 , Robert
Richter 1 , Jochen Rittman 1 , Marlene Vogel 1 , Wilfried Wurth 2 ,
Thomas Möller 1 , Bernd von Issendorff 3 , and J. Tobias Lau 1
— 1 Technische Universität Berlin, Institut für Optik und Atomare
Physik, EW 3-1, Hardenbergstraße 36, D-10623 Berlin — 2 Universität
Hamburg, Institut für Experimentalphysik, Luruper Chaussee 149, D-
22761 Hamburg — 3 Albert-Ludwigs-Universität Freiburg, Fakultät für
Physik/FMF, Stefan-Meier-Straße 21, D-79104 Freiburg
Its element specificity makes resonant X-ray absorption spectroscopy
an ideal tool to study deposited clusters at low coverage. At the 2p
absorption edges of small, size-selected cobalt clusters on Cu(100), two
separate sets of lines are observed which can be interpreted in terms
of atomic-like multiplet splitting. For very small clusters (n = 1, 2, 3),
these absorption lines show a strong size dependence. The size evolution
of 2p X-ray absorption will be discussed in comparison to sizeselected
free cobalt clusters, recorded recently on mass selected cluster
ions in a linear Paul trap at BESSY. Direct comparison of free and
deposited clusters under well defined conditions allows to distinguish
size-specific properties from cluster–substrate interaction effects. A
shift to higher photon energies in deposited clusters indicates screening
by substrate valence electrons.
O 18.17 (198) Mon 18:30 Poster F
EUV/XUV-Radiation: a New and Versatile Tool for Structural
and Chemical Surface Analysis — •Armin Bayer, Frank
Barkusky, Stefan Döring, Christian Peth, Michael Reese, and
Klaus Mann — Laser-Laboratorium Göttingen e.V., Hans-Adolf-
Krebs-Weg 1, 37077 Göttingen
One of the most distinct features of EUV/XUV radiation in the regime
of 2...20 nm is the strong interaction cross section to almost every material
giving rise to penetration depths of about a few hundred nanometers
for normal incidence light. Since the order of magnitude of the
applied wavelength is comparable to typical dimensions of nanostructures,
EUV/XUV light serves as an ideal tool for surface near probing
of nanostructured samples.
The Laser-Laboratorium Göttingen e.V. has developed a laserdriven
plasma source for generation of soft x-rays in the above men-

tioned spectral range. A Nd:YAG laser (1064 nm, 800 mJ, 6 ns) is
focused into a gas-target leading to plasma formation which in turn
emits characteristic soft x-ray radiation. Depending on the employed
target gas, narrow-band as well as broad-band spectra can be obtained.
Based on this light source, a Θ-2Θ-reflectometry setup as laboratory
metrology tool for in-band characterization of surfaces is currently being
developed, enabling the future determination of both the chemical
composition (reflectometry and NEXAFS experiments) and surface
morphology (scatterometry and diffractometry experiments).
In this contribution we present the experimental concept, possible
measurement techniques, numerical simulations as well as first results.
O 18.18 (240) Mon 18:30 Poster F
Probing correlated electron-pair emission from a W(001)
surface — •Milton Muñoz-Navia, Carsten Winkler, Michael
Birke, Ram Shanker Patel, Frank Oliver Schumann, and Jürgen
Kirschner — Max-Planck-Institut für Mikrostrukturphysik, Weinberg
2, 06120 Halle, Germany
An electronic system which is excited by a photon can respond by the
simultaneous emission of an electron-pair also called Double Photoemission
(DPE). It has been established theoretically that a non-zero
DPE intensity requires electron-electron interaction. Besides the simultaneous
ejection of two electrons upon photon absorption, another
possible pathway of pair emission is that the photon is absorbed by a
single electron which scatters from another electron. To study their relative
contributions we have analysed the pair emission from a W(001)
surface excited by 25 eV and 29.5 eV photons in comparison with
20 eV and 25 eV electrons. The experiments were performed with
a coincidence time-of-flight setup with two channelplate detectors in
back-reflection geometry. In the (γ,2e) experiments BESSY II synchrotron
facility operated in single-bunch mode was used as pulsed
light source, while for the (e,2e) experiments, a pulsed electron gun
was employed. We find that the 2D-energy distributions for photon
absorption or electron excitation are markedly different. Qualitatively
this difference can be understood by the selection rule for DPE. Hence,
the (γ,2e) intensity has a significant contribution due to the DPE process.
O 18.19 (270) Mon 18:30 Poster F
Aluminum oxide etching with hydrogen — •Markus Reinl, Andreas
Assmuth, Rudolf Nüssl, Tanja Stimpel-Lindner, Torsten
Sulima, Hermann Baumgärtner, and Ignaz Eisele — Universität
der Bundeswehr, Institut für Physik, Werner-Heisenberg-Weg 39,
85577 Neubiberg, Germany
In modern semiconductor production Al is still used as material for
the probing and bonding pads. It is widely spread that the difficulties
during probing are caused by the native Al2O3 on top of the Al
pads. In order to improve the probing performance different hydrogen
processes to remove the native oxide were investigated on sputtered
Al.
The first experiments were implemented in an UHV chamber. The
Al was exposed to H* radicals to investigate the etching behavior.
Therefore pure hydrogen was piped through a 1900 K hot tantalum
tube into the process chamber. With this configuration a dissociation
rate of 90 % can be achieved. The in-situ analysis was done by an
x-ray photoelectron spectroscopy (XPS).
The hydrogen plasma experiments were performed in a modular
UHV cluster tool with Ar as plasma gas and H2 as etching component.
In the purpose of analysis with secondary ion mass spectrometry
(SIMS) the cleaned surface needs to be covered with a protective layer
in order to avoid a recontamination respectively re-oxidation. Therefore
a cap of pure Al was deposited.
As expected the results show that the pure chemical reaction does
not lead to a sufficient etching rate. In fact ion bombardment is necessary
to achieve a significant etching effect.
O 18.20 (290) Mon 18:30 Poster F
About the existence of the Au(110) surface state at the ¯ Y
point — •Andreas Nuber 1 , Frank Forster 1 , Friedrich Reinert 1 ,
and Kenya Shimada 2 — 1 Universität Würzburg, Experimentelle
Physik II, Am Hubland, 97074 Würzburg, Germany — 2 Hiroshima
Synchrotron Radiation Center, Hiroshima University, Japan
Presently there are some discussions and inconsistent results about the
existence of the Shockley-type surface state at the ¯ Y point of the surface
Brillouin zone on the (1 × 2) reconstructed Au(110) surface. We
investigated this surface by high-resolution angle-resolved photoelectron
spectroscopy (ARUPS). In our investigation we could not find any
Monday
evidence of a surface state on the clean Au(110) surface, neither at the
¯Γ point nor at the ¯ Y point. Furthermore we deposited thin films of
Xe and Ag in order to investigate the changes of the surface electronic
structure. With about 2 ML of Ag adsorbed, a surface state at ¯ Y
shows up with E0 = 450 meV which is surprisingly a lot higher than
the reported binding energy of the surface state on a clean Ag(110) surface.
Adsorbing noble gases on the clean (1×2) reconstructed Au(110)
surface induced a coverage dependent backfolding effect.
O 18.21 (183) Mon 18:30 Poster F
Inelastic Electron Tunnelling Spectroscopy in studies of complex
metal-organic interfaces: The case of PTCDA/Ag(111)
— •Adam Lassise 1 , Ruslan Temirov 2 , and Stefan Tautz 2 —
1 Jacobs University, Bremen, Germany — 2 Forschungszentrum Jülich,
Jülich, Germany
Recently it has been proposed that the STM-based Inelastic Electron
Tunnelling Spectroscopy (STM-IETS) can solve the long standing
problem of the STM chemical insensitivity. However, due to the
problems with the interpretation of the IETS data, the potentials of
this method in application to the large organic adsorbates are not yet
well understood. Here we apply STM-IETS to the well studied model
case of complex organic adsorption - PTCDA/Ag(111). We analyse
the IETS data obtained on PTCDA molecules in different adsorption
states and show that the variations of the local electronic structure of
the molecule mostly affect the intensity of IET spectral features but
not their energetic positions. Finally, we use the IET imaging in order
to identify the strongest vibrational modes observed in IET spectra.
O 18.22 (184) Mon 18:30 Poster F
Ferrocene-1,1-dithiol (FDT) between perfect and defective
Ag electrodes — Thomas Bredow 1 , Jörg Meyer 2 , Volodymyr
Maslyuk 3 , •Gernot Gardinowski 4 , Christoph Tegenkamp 4 , Herbert
Pfnür 4 , and Ingrid Mertig 3 — 1 Institut f. Physikalische und
Thoeretische Chemie, Universität Bonn, Germany — 2 Fritz-Haber-
Institut - Abtl. Theorie, Berlin, Germany — 3 Fachbereich Physik,
Martin-Luther-Universität Halle-Wittenberg, Germany — 4 Institut f.
Festkörperphysik, Leibniz Universität Hannover, Germany
The role of surface defects on the energetic and electronic structure
of a molecule between two electrodes is of high intrest. We present a
theoretical study of the interaction of ferrocene-1,1-dithiol (FDT) with
two perfect or defective (vacancies, steps, etc.) parallel Ag(111) surfaces
using DFT. We demonstrate, that the adsorption geometry has a
strong effect on the electronic levels and conductivity. Furthermore, we
show that the presence of point defects strongly enhances the moleculesurface
interaction but has a suprisingly small effect on the density of
states. Ferrocene dithiolate preferably binds to low-coordinated Ag
atoms, which leads to significant shifts of the molecular orbitals and
to a decrease of the electronic conductivity compared to the adsorption
at perfect surfaces due to increased splitting of molecular levels.
The latter leads to a decrease of the overlap with the metal levels
near Fermi energy, and therefore to a reduction of the conductivity.
Finally, we conclude that highly conducting molecules need collective
stabilization by a significant amount of FDT molecules saturating the
energetically favorable, but less conducting sites on an Ag electrode.
O 18.23 (187) Mon 18:30 Poster F
C68 deposits on Cu(111): Topography and Electronic Properties
— •Albert F. Takacs 1,2 , Timofey Balashov 1 , Wulf
Wulfhekel 1,2 , Daniel Löffler 3 , Artur Böttcher 3 , and Manfred
M. Kappes 2,3 — 1 Physikalisches Institut, Universität Karlsruhe, D-
76131, Germany — 2 CFN-DFG Centrum für Funktionelle Nanostrukturen
— 3 Institut für Physikalische Chemie, Universität Karlsruhe,
D-76131, Germany
Non-IPR fullerenes (Isolated Pentagon Rule) have very recently attracted
attention as stable building blocks for carbon-based nanotechnology.
In contrast to classic fullerenes, the smaller Cn cages, n60, are functionalised by terminating reactive sites. We focus
here on the C68 species which is the largest fullerene to have only non-
IPR cage isomers. Ultraviolet photoionization spectroscopy reveals the
HOMO-LUMO gap of the C68 layers of 1.7 eV and thermal desorption
spectroscopy evidences a high intercage binding energy of ≈2 eV. We
also used scanning tunnelling microscopy(STM) to determine the geometry
and electronic properties of C68 deposits on Cu(111). The STM
images confirm that C68 deposits comprise cages linked in polymeric
chains as determined by the geometry of the reaction centers terminating
individual cage. By proper positioning and approaching of the
STM tip over an individual molecule we have investigated the conduc-

tance across the cage-substrate interface. The resulting current-voltage
(I-V) and differential conductance (dI/dV) characteristics reveal two
distinct trends which indicate the unique role of the non-IPR sites as
responsible for the strong interactions with the substrate.
O 18.24 (256) Mon 18:30 Poster F
Characterization of FDT molecules and its binding properties
on metallic surfaces — •Jedrzej Schmeidel, Gernot Gardinowski,
Christoph Tegenkamp, and Herbert Pfnür — Institut für
Festkörperphysik, Universität Hannover, Abteilung Oberflächen, Appelstrasse
2, 30167 Hannover, Germany
Recently performed VASP calculations concerning the adsorption
of ferrocene-1,1’-dithiol (FDT) molecules on perfect and defective
Ag(111) surfaces show that details of the chemical bond have a large
influence on the DOS near Fermi energy, i.e the transport behavior.
Furthermore, at defect sites the thiolate bonded FDT is energetically
favored. We have experimentally investigated FDT on metallic surfaces,
to gain insight into this subject. FDT molecule was chosen
due to its large conductance and a high structural flexibility with respect
to rotation of the two cyclopentadienyl (Cp) rings. As substrate
Au(111) and epitaxially grown Ag/Si(111) were used. On both surfaces
the adsorption process and the stoichiometry of the FDT was
controlled and checked by XPS/UPS. On Au surfaces, self assembled
monolayer (SAM) structures have been investigated by means of STM,
where assembled structures have been partly seen in form of parallel
oriented lines with average spacings of 1.7nm. Submonolayer coverages,
generated by thermal evaporation, have been investigated on Ag
√ 3 × √ 3/Si(111). First results about the preferred adsorption at characteristic
defect sites (grain boundaries, steps) will be presented and
their electronic structure, obtained by STS, correlated with theoretical
results.
O 18.25 (284) Mon 18:30 Poster F
Single molecule manipulations: PTCDA on Ag(111) — •Olga
Neucheva 1 , Ruslan Temirov 1 , Adam Lassise 2 , Sergey Soubatch 1 ,
and Stefan Tautz 1 — 1 Forschungszentrum Jülich, Jülich, Germany
— 2 Jacobs University, Bremen, Germany
Manipulations of atoms and molecules with the low temperature scanning
tunneling microscope open new opportunities for creating nanodevices.
The size of molecules and type of their interaction with the
substrate play an important role in manipulation process. For PTCDA
molecules chemisorbed on Ag(111) surface, we developed a protocol of
controllable and reproducible manipulation which includes a creation
of stable contact between a molecule and STM-tip, tearing it from the
substrate and transporting to a chosen position, and finally locating it
on the surface. The reproducibility of these stages is controlled by measuring
the I(t) spectra. Using this protocol, we formed different types
of molecular corrals and chains in order to modify the Ag(111) surface
state. Performed experiments allow us to study substrate-molecule
interaction in more details.
O 18.26 (310) Mon 18:30 Poster F
X-ray absorption spectroscopy of spin-crossover complexes
on metallic surfaces. — •D. Ball 1 , M. Bernien 1 , M.
Piantek 1 , J. Miguel 1 , J. Kurde 1 , W. Kuch 1 , H. Wende 2 , M.
Haryono 3 , S. Hain 3 , and A. Grohmann 3 — 1 Freie Universität
Berlin, Inst. f. Experimentalphysik, Arnimallee 14, D-14195 Berlin
— 2 Universität Duisburg-Essen, Fachbereich Physik, Experimentalphysik
- AG Wende, Lotharstr. 1, D-47048 Duisburg — 3 Technische
Universität Berlin, Inst. f. Chemie, Straße des 17. Juni 135, D-10623
Berlin
Many six-coordinate iron(II) complexes with an Fe–N6 core show a
spin-crossover (SCO) behaviour. The transition between an antiparallel
alignment of the electron spins (low spin) and a parallel alignment
(high spin) is triggered by temperature, pressure, or optical excitation.
We present Near Edge X-ray Absorption Fine Structure (NEXAFS)
measurements of mono-molecular layers of Fe(II) 2,6-bis(pyrazol-1yl)pyridine
and 2-phenyl-4,6-di(pyridin-2-yl)-1,3,5-triazine SCO complexes
deposited from solution onto Au(111) surfaces. The binding
of these complexes to the surfaces is established via different linker
groups such as SH, SAc, and SCN. The resulting degree of order and
the adsorption geometry are determined by angle-dependent NEXAFS
measurements at the C- and N-K edges. The nature of the S–Au bond
is studied by X-ray Photoelectron Spectroscopy. The electronic properties
of the Fe center are probed by NEXAFS at the Fe L2,3 edges.
Their spin state is deduced by comparing these spectra to measurements
of bulk samples. We find that the interaction with the surface
significantly influences the switching behaviour.
Monday
O 18.27 (364) Mon 18:30 Poster F
Investigation of the interface between aromatic thiolate
SAMs and the Au(111) surface — •Daniel Weier 1 ,
Axel Beimborn 1 , Christian Flüchter 1,2 , Frank Schönbohm 1 ,
Ulf Berges 1,2 , Sven Döring 1,2 , Tobias Lühr 1 und Carsten
Westphal 1,2 — 1 Fakultät Physik - Universität Dortmund, Otto-
Hahn-Str.4, D 44221 Dortmund, Germany — 2 DELTA - Fakultät Physik
- Universität Dortmund, Maria-Goeppert-Mayer-Str. 2, D 44227
Dortmund, Germany
SAMs (Self-assembled-monolayers) of aromatic thiolates have been intensively
studied in the last three decades. The amphiphilic molecules
with a chainlike structure consist of a hydrophobic head group and a
hydrophilic carbon chain part. The structure of the molecules allows
molecular chemisorption in close packed arrays onto well prepared surfaces
due to the high affinity of the sulphur head group to the Au
surface. An important trait of the molecules is their strong interaction
with x-ray radiation and electrons. The problem of radiation damage
within the focus of an undulator beamline is well known. In this project
the photon flux density was reduced by moving the sample behind
the focus. The out-of-focus measurements showed a significant reduction
in the radiation damage at the adsorbed molecules and long data
acquisition times became possible. We present first full angle photoelectron
diffraction data of the sulphur 2p peak of SAM thiolates on
Au(111). The diffracted S 2p signal clearly displays intensity variations.
We compare the experimental data with the results of a first
simulation of a structure model of the thiolate/Au(111) interface.
O 18.28 (416) Mon 18:30 Poster F
Growth and electronic characterization of TMTTF-TCNQ
on metal surfaces — •Dagmar Kreikemeyer Lorenzo, Isabel
Fernández Torrente, Katharina Jennifer Franke, and Jose Ignacio
Pascual — Institut für Experimentalphysik, Freie Universität
Berlin, Berlin, Germany
Here we investigate the adsorption properties and growth of the Bechgaard
salt TMTTF-TCNQ on a Au(111) surface by means of Low
Temperature Scanning Tunneling Microscopy. TMTTF (tetramethyltetrathiafulvalene)
is a charge donor and TCNQ (7,7,8,8- tetracyanoquinodimethane)
is an acceptor. The bulk structure is formed by
parallel chains of TMTTF and TCNQ, giving rise to one-dimensional
conduction bands along the molecular rows. The electronic structure
of TMTTF is essentially the same as the well known donor TTF, but
the addition of the four methyl groups gives it more three-dimensional
shape and increases the decoupling between the chains. The submonolayer
growth of pure TMTTF on Au(111) shows a repulsive interaction
between molecules as a consequence of its charged state [1]. On the
contrary, pure TCNQ self-assembles in close-packed islands. When
co-deposited on a metal surface, TMTTF and TCNQ show a strong
tendency to mix in ordered domains with alternating rows of each
molecule, similar to bulk. By Scanning Tunneling Spectroscopy we
identify the molecular resonances of TMTTF and TCNQ and a depopulation
of the surface state. Our data indicates that donor-acceptor
interactions are still present on a metallic surface. [1] Torrente et al,
Phys. Rev. Lett. 99, 176103 (2007)
O 18.29 (421) Mon 18:30 Poster F
Scanning tunnelling microscopy study of nitrobiphenylthiol
self-assembled monolayers on Au(111) — •Heiko Muzik, Andrey
Turchanin, and Armin Gölzhäuser — Department of Physics,
Physics of Supramolecular Systems, University of Bielefeld, D-33615
Bielefeld
Electron beam/extreme UV patterning of 4*-nitro-1,1*-biphenyl-4thiol
self-assembled monolayers (NBPT SAM) on gold surfaces results
in the transformation of the terminal nitro groups into amino groups
and in the crosslinking of the underlying aromatic cores [1,2]. Such
chemical nanolithography has a great potential for nanobiotechnological
applications (e.g. fabrication of protein chips[3]), where the postprocessing
of amino-terminated and pristine areas results in the formation
of complex supramolecular assemblies with lateral dimensions
of periodic structures down to 30 nm. The understanding of the formation
of NBPT SAM at the molecular level is important for a further
implementation of chemical nanolithography in different areas. In this
contribution we show the first results of a UHV scanning tunneling microscopy
(STM) study of NBPT SAMs on Au(111). We present a detailed
data evaluation procedure for a non-orthogonal Multiscan-type
scanner (Omicron Nanotechnology). The structural polymorphism of

NBPT SAMs will be discussed subjecting to the preparation conditions
of the samples and their subsequent temperature treatment in
UHV. [1] W. Eck et al., Adv. Mater. 2000, 12, 805 [2] A. Turchanin
et al., Small 2007. [3] A. Turchanin et al., Adv. Mater. 2007.
O 18.30 (491) Mon 18:30 Poster F
Methanethiolate diffusion on Au(100) and Au(111) —
•Andreas Franke and Eckhard Pehlke — Institut für Theoretische
Physik und Astrophysik, Christian-Albrechts-Universität zu Kiel
Alkanethioles on unreconstructed Au(111) and Au(100) surfaces are
studied as model systems for the bonding and diffusion of organic
molecules on metal surfaces. Unreconstructed (111) and (100) surfaces
of Au exist under certain electrochemical conditions [1]. We
have extend our work on CH3S/Au(111) in a twofold way: In accordance
with other studies [2] at low coverages we found CH3S–radicals
to bind as Au(SCH3)2 complexes to the Au(111) surface with a binding
energy of 2.38 eV per CH3S. We here present an ab initio study
of the diffusion barriers for these complexes and bare CH3S. To this
purpose, we employ the nudged elastic band method (NEB) as implemented
in the VASP code. Furthermore, we compare the diffusion of
the bare CH3S–radical on the (100) and (111) surface. On Au(100) the
adatom formation and subsequent adsorption of two CH3S–radicals at
the adatom is slightly less favorable than chemisorption of individual
radicals on the defect free surface. The most stable adsorption position
for CH3S is a tilted hollow-bridge geometry (for one radical per (4×4)
surface unit cell) with a binding energy of 2.27 eV. The radical is tilted
to the surface normal by 54 ◦ . Transition states along the minimum
energy path with barrier heights of 620 meV and 640 meV have been
calculated.
[1] M. A. Schneeweiss, et al., Appl. Phys. A 69, 537 (1999).
[2] P. Maksymovych, et al., Phys. Rev. Lett. 97, 146103 (2006).
O 18.31 (611) Mon 18:30 Poster F
The adsorption of PTCDA on coin metal surfaces: a correlation
between the adsorption height and the chemisorptive
nature of the adsorbate-substrate bonding — •Oliver Bauer 1 ,
Annegret Hauschild 1 , Serguei Soubatch 2 , Stina K. M. Henze 3 ,
Ruslan Temirov 3 , Adam Lassise 3 , Frank Stefan Tautz 2 , and
Moritz Sokolowski 1 — 1 Institut für Physikalische und Theoretische
Chemie, Universität Bonn, Wegelerstr. 12, 53115 Bonn — 2 Institut
für Bio- und Nanosysteme 3 (IBN3), Forschungszentrum Jülich GmbH,
52425 Jülich — 3 School of Engineering and Science, Jacobs University
Bremen, Campus Ring 1, 28759 Bremen
The vertical bonding distance of the adsorbate to the underlying surface
can be regarded as a quantity of the strength and the chemisorptive
character of the bond. The Normal-Incidence X-ray Standing
Wave (NIXSW) technique has been used to determine the adsorption
heights of perylene-3,4,9,10-tetracarboxylic acid dianhydride
(PTCDA) on various single-crystalline coin metal surfaces. In addition
we have recently investigated the adsorption heights as well as
the adsorption geometry of PTCDA in the submonolayer regime on the
Ag(100) and Ag(110) surfaces by NIXSW: We find vertical bonding distances
of 2.66(4) ˚A and 2.59(1) ˚A respectively. For PTCDA/Ag(100),
the carboxylic and anhydride oxygen atoms are located 2.57(7) ˚A and
2.79(10) ˚A above the substrate surface respectively. Based on the experimental
findings bonding models which include a synergetic effect
of adsorbate-substrate bonding and back-bonding are discussed for
PTCDA adsorption on coin metal surfaces. Supported by the DFG
and the ESRF.
O 18.32 (640) Mon 18:30 Poster F
STM/STS Analysis of Molecular Chains Consisting of Mn6Cr
Single Molecule Magnets and Single Molecules on Highly
Ordered Pyrolytic Graphite (HOPG) — •Aaron Gryzia 1 ,
Armin Brechling 1 , Wiebke Hachmann 1 , Marc D. Sacher 1 , Ulrich
Heinzmann 1 , Maik Heidemeier 2 , and Thorsten Glaser 2 —
1 Molecular and Surface Physics, Bielefeld University — 2 Anorganic
Chemistry I, Bielefeld University
We report on the preparation and characterization of Mn6Cr-Single
Molecule Magnets on a HOPG(0001) surface.
The Mn6Cr-molecules show 1D molecular arrangements with many
interesting features, such as the occurrence of discrete kink angles in
the molecular chains of 30 deg., only two different molecular orientations,
the orientation of the chains along the main crystal axis of
HOPG and much larger molecule-molecule distances than expected
from the van der Waals radii of the molecules. By STS we characterized
Mn6Cr, thus gaining information on the electronic levels of the
Monday
molecule and the shift of the levels whether it is part of a chain or not.
One of our goals is to obtain data about the exact orientation of the
molecule in respect to the surface; thus we can make a statement for
the physical interaction why the molecules are assembling in chains.
First results of these measurements will be presented.
O 18.33 (62) Mon 18:30 Poster F
High-Density Zig-Zag Dimer-Chain of Trimesic Acid at
Graphite-Phenyloctane Interface — Ha N. T. Nguyen 1,3 ,
•Thiruvancheril G. Gopakumar 1 , Markus Lackinger 2 , and
Michael Hietschold 1 — 1 Institute of Physics, Solid Surfaces Analysis
Group, Chemnitz University of Technology, D-09107, Chemnitz,
Germany. — 2 Institute of Crystallography and Applied Mineralogy,
Ludwig-Maximilians-University Munich, Munich, Germany. —
3 Department of Applied Physics, Faculty of Physics ,University of Natural
Science, 227 Nguyen Van Cu, Hochiminh city, Viet Nam.
Trimesic acid (TMA) is well known for its self-assembly via hydrogen
bonding, especially in fatty acids at solid-liquid interface. The well
known open structures are the planar chicken wire and flower structures[1].
It has never been observed for TMA in any of the studied
solvents a high density structure with molecules adsorbing parallel to
the substrate at solid-liquid interface. We have observed a stable adsorption
of TMA in phenyloctane (C14H22), a non-polar solvent, with
high packing density at room temperature. The packing density is 1.3
molecules/nm2, which is the highest observed for any of planar adsorption
of TMA structures at solid-liquid interface. The molecules
interact through the carboxylic functional groups with a dimer motif
leading to dimer-chain. In adjacent rows the molecules have inverted
symmetry (3-fold), which provides the molecules to interact and close
pack themselves in a zig-zag fashion. The high density is expected due
to high concentration of TMA in phenyloctane by sonication.
[1] Markus Lackinger, et al., Langmuir 2005, 21, 4984-4988.
O 18.34 (101) Mon 18:30 Poster F
FT IRRAS Studies of Potential-Controlled Transformations
of a Monolayer of Dibenzylviologen adsorbed on a Cu(100)
Electrode Surface — •Melanie Röefzaad, Duc Thanh Pham, Peter
Broekmann, and Klaus Wandelt — Institut für Physikalische
und Theoretische Chemie, Universität Bonn
Fourier transform infrared reflection absorption spectroscopy (FT IR-
RAS) has been combined with cyclic voltammetry (CV) to monitor the
potential induced transformations of a monolayer formed by the redoxactive
1,1 ′ -dibenzyl-4,4 ′ -bipyridinium (dibenzyl-viologens or DBV) on
a chloride pre-covered Cu(100) electrode surface. Both the dication
(DBV 2+ ) and the radical cation (DBV +· ) could be detected. The
DBV 2+ has been found to adsorb at positive electrode potentials with
its main molecular axis parallel to the surface in a nearly face-on orientation.
Lowering the potential beyond the thermodynamic reduction
potential results in a phase transition with the DBV +· molecule in a
more side-on orientation. These results are well consistent with previous
in situ STM studies [1] where a distinct phase transition from
a “cavitand” phase to a polymeric stacking phase has been observed.
Spectra of this polymeric phase showed also the same characteristic
bands as were detected after dibenzyl-viologen adsorption at potentials
where isolated dimers (DBV + )2 on the surface have been observed.
This indicates that the formation of both phases is based on the same
π-π- and spin paring interactions so that dimers and polymers can be
hardly distinguished by IR-spectroscopy only.
[1] Pham et al., New J. Chem., 30 (2006), 1439
O 18.35 (102) Mon 18:30 Poster F
Potential induced phase transition of a Cu monolayer on
a Au(1 0 0) surface — •Christian Schlaup, Peter Broekmann,
and Klaus Wandelt — Institut für Physikalische und Theoretische
Chemie, Universität Bonn, Wegelerstr. 12, D-53115 Bonn
Underpotential deposition of Cu on Au(h k l) electrodes has been studied
extensively over the past. For underpotential deposition of Cu on
Au(1 0 0) electrodes in sulfuric acid electrolytes, these in situ STM
studies revealed a commensurate Cu(1 × 1) structure in which Cu
adatoms occupy 4-fold hollow sites [1]. Additional quasi-hexagonal Cu
adlayer structures with an intermediate coverage identified by STM
were traced back to chloride contaminations caused by the reference
electrode [1]. However, our own experiments revealed a reversible
phase transition between the commensurate Cu(1 × 1) structure at
potentials near to Cu bulk deposition and a stripe structure at more
positive potentials, near to the dissolution of the Cu upd layer. This
phase transition of the Cu adlayer was also observed after exchanging

the deposition electrolyte for a blank sulfuric acid solution, pointing
to a constant Cu coverage during the phase change. Within a single
stripe of the anodic phase, the Cu-Cu distances are shortened perpendicular
to the stripe direction whereas between different stripes the
Cu-Cu distances are elongated. The potential depended appearance
of the two phases points to a stabilisation of the reconstructed phase
by (bi)sulfate anions.
[1] F.A. Möller, O.M. Magnussen, R.J. Behm, Phys. Rev. B 1995,
51, 2484.
O 18.36 (132) Mon 18:30 Poster F
SXPS studies of viologens adsorbed on a halogenide precovered
Cu(100) electrode — •Stephan Breuer 1 , Thanh Pham
Duc 1 , Sascha Hümann 2 , Peter Broekmann 3 , Ralf Hunger 4 ,
Thomas Mayer 4 , and Klaus Wandelt 1 — 1 Institut für Physikalische
und Theoretische Chemie, Universität Bonn, Wegelerstr. 12,
53115 Bonn — 2 Max-Planck-Institut für Eisenforschung GmbH, Max-
Planck-Str. 1, 40237 Düsseldorf — 3 BASF AG, G-CAE/WED -
M320, 67056 Ludwigshafen — 4 Institut für Materialwissenschaften,
TU Darmstadt, c/o BESSY, Albert-Einstein-Str. 15, 12489 Berlin
We have studied the redox-chemistry of Dibenzyl(DBV)- and
Diphenyl(DPV)-Viologenes adsorbed on a chloride and iodide precovered
Cu(100) single crystal electrode using cyclic voltametry (CV),
in-situ electrochemical scanning tunneling microscopy (ECSTM) and
ex-situ X-ray photoelectron spectroscopy with synchrotron radiation
at BESSY II (SXPS). From ECSTM it is known, that DBV undergoes
a structural phase transition on the anion modified Cu(100) surface as
a function of electrode potential. While a checkerboard like cavitandstructure
at positive potentials is formed by DBV 2+ - dications a stripephase
at negative potentials consists of DBV +· -radical cations. This
assignment is supported by the N1s-electron binding energies of 402
eV (dications) and 400,7 eV (radical cations) as measured by SXPS.
DPV forms only a stripe-phase of radical-cations consistent with a N1s
energy of 400,6 eV. No additional chloride or iodide anions are intercalated
within the respective viologene layer, as concluded from the
Cl2p and I4d signals, respectively.
O 18.37 (330) Mon 18:30 Poster F
Adsorbate-adsorbate interactions at electrochemical interfaces:
S/Cu(001) in HCl solution — •Andriy Taranovskyy,
Tunay Tansel, and Olaf Magnussen — Institut für Experimentelle
und Angewandte Physik, Universität Kiel, D-24098 Kiel, Germany
Following up our previous high-speed scanning tunneling microscopy
study of sulfide tracer diffusion on Cu(001) in 0.01M HCl solution [1],
we here present an analysis of the mutual motion of sulfide dimers in
this system at room temperature. From the experimental video data
histograms of the changes of the atomic configurations in subsequent
frames were obtained. By fitting those to a theoretical model of dimer
motion, based on solution of master equations, the hopping rates of Sad
in the presence of a neighboring Sad were extracted. The pair interaction
potential obtained from these rates shows an oscillatory distance
dependence indicating anisotropic interactions. Also an influence of
the electrode potential on the adsorbate interactions was observed.
[1] T. Tansel and O. Magnussen, Phys. Rev. Lett. 96, 026101
(2006).
O 18.38 (355) Mon 18:30 Poster F
In-situ atomic-scale studies of the mechanisms and dynamics
of bismuth electrodeposition by Video-STM — •Hisayoshi
Matsushima 1 , Erwin S. Lin 2 , Sylvie Morin 2 , and Olaf M.
Magnussen 1 — 1 Institut für Experimentelle und Angewandte Physik,
Universität Kiel, Kiel, Germany — 2 Chemistry Department, York University,
Ontario, Canada
We present direct studies of mechanisms and dynamics of underpotential
(UPD) and overpotential (OPD) electrodeposition of bismuth
on Au(111) in 0.1 M HClO4 solution by in-situ high-speed scanning
tunneling microscopy (Video-STM). Nucleation of Bi second layer islands
in the OPD regime occurs heterogeneously at domain boundaries
of the UPD layer, starting by trapping of isolated Bi adatoms.
High-resolution images of the anisotropic (needle-like) growth [1] reveal
the motion of bilayer kinks along the needle edges, indicating parallel
growth of both layers.
[1] C. A. Jeffrey, D. A. Harrington and S. Morin, Surf. Sci., 512,
L367 (2002)
O 18.39 (596) Mon 18:30 Poster F
X-ray reflectivity studies of the liquid mercury-vapor and the
Monday
liquid mercury-electrolyte interface — •Annika Elsen, Bridget
Murphy, Jochim Stettner, and Olaf Magnussen — Institut für
experimentelle und angewandte Physik der Universität Kiel, Leibnizstraße
19, 24118 Kiel
Although the liquid mercury-electrolyte interface is one of the most
studied electrochemical systems, almost no structural data on this interface
exists up to now. We recently started first investigations of this
interface by synchrotron x-ray reflectivity. Here we discuss a new liquid
mercury electrochemical cell design, for combined reflectivity and
electrochemical measurements on the mercury surface covered with an
electrolyte solution. The cell allows the insertion of a degassed mercury
sample as well as dearated electrolyte solution under a high purity
inert gas atmosphere. Preliminary electrochemical data and results of
x-ray-reflectivity measurements on the liquid mercury-vapor and the
liquid mercury-electrolyte interface using a laboratory source will be
presented
O 18.40 (672) Mon 18:30 Poster F
Au model anodes for Li-ion batteries studied by in-situ X-ray
diffraction — •Frank Uwe Renner 1,2 and Hiroyuki Kageyama 2 —
1 MPI für Eisenforschung, Düsseldorf, Germany — 2 AIST, UBIQEN,
Ikeda, Osaka, Japan
We present first results of experiments on the electrochemically-driven
alloying and de-alloying of Au substrates with Li-ions from organic
electrolytes studied by in-situ X-ray diffraction employing Synchrotron
radiation. Au(111) single crystals, 111-textured thin Au films and
nanometer-sized Au particles on HOPG have been examined using a
specially designed in-situ X-ray cell. Starting from single crystalline
Au systems we could follow the structural degradation and pulverization
under different electrochemical conditions. Reciprocal lattice
space maps show the occurrence of powder-like intensity associated
with different Li-Au alloy phases. The diffraction data from the bulk
Au crystals is compared with the Au(111) thin films and the behavior
of the Au nano-particles on HOPG.
O 18.41 (192) Mon 18:30 Poster F
Confined electronic state in small Co islands on Cu(100) —
•Timofey Balashov 1 , Albert F. Takacs 1 , Markus Däne 2 , Arthur
Ernst 2 , Patrick Bruno 2 , and Wulf Wulfhekel 1 — 1 Physikalisches
Institut, Universität Karlsruhe, Wolfgang-Gaede Strasse 1, 76131 Karlsruhe,
Germany — 2 Max-Planck-Institut für Mikrostrukturphysik,
Weinberg 2, 06120 Halle, Germany
We investigated the electronic structure of 3ML Co islands on Cu(100)
with scanning tunneling microscopy and spectroscopy. A standing
wave pattern was observed on the islands in the energy region from
-50 to 100 meV with respect to the Fermi energy. We were able to extract
the dispersion curve for this state by comparing the state energy
on islands of different sizes, with different wavelengths of the standing
wave pattern. The observed dispersion corresponds well to a minority
Co band in theoretical band structure calculations.
O 18.42 (203) Mon 18:30 Poster F
Mn/Cu(111): alloying, electronic and magnetic properties —
Marko Kralj 1 , Christian Breinlich 2 , Sanja Krajinovic 1 , Petar
Pervan 1 , Conrad Becker 2 , and •Klaus Wandelt 2 — 1 Institute of
Physics, Bijenicka 46, HR-10000 Zagreb — 2 Institut für Physikalische
und Theoretische Chemie, Universität Bonn, Wegelerstr. 12, 53115
Bonn
Spin-split two-dimensional (2D) states which can, for instance, be realized
in magnetically stabilized surface alloys, are of immense technological
interest for new spintronic devices. For example, Mn/Cu(100)c(2x2)
is considered as a prototypical 2D magnetic alloy [1]. We have
studied the interaction of manganese with a Cu(111) surface using different
surface sensitive techniques. While the electronic structure and
perfectness of a periodic root-3 alloy were characterized by ARPES and
LEED, the electronic characteristics of the surface occupied by single
Mn atoms were studied by STM and STS. STS at low temperature
indicates no observable Kondo-effect for single Mn atoms. Increasing
the temperature, leads to incorporation of Mn atoms into and below
the surface layer and the appearance of very specific surface defect
structures. Formation of this surface alloy first leads to the quenching
of the Cu(111) surface state. Only after annealing higher than 500 K,
when Mn atoms are incorporated several layers deep, leading to complex
changes in the LEED pattern, ARPES indicates the appearance
of a modified surface state. All this seems to indicate none or very
weak magnetic and spin-splitting effects for Mn/Cu(111).

[1] M. Wuttig, Y. Gauthier, S. Blügel, Phys.Rev.Lett. 70 (1993)
3619.
O 18.43 (245) Mon 18:30 Poster F
Co multilayers on diamond surfaces: Results from ab-initio
studies — •Bernd Stärk, Peter Krüger, and Johannes Pollmann
— Institut für Festkörpertheorie, Universität Münster
In recent years there has been an ever increasing interest in the development
and understanding of metal-semiconductor hybrid systems.
They may feature novel functionalities which are not feasible with metals
or semiconductors alone combining, e.g., the high conductivity and
spin-polarization of ferromagnets with the controllability of semiconductors.
In our work structural, electronic and magnetic properties of Co multilayers
on diamond surfaces are investigated within the framework of
density functional theory employing the local-spin-density approximation
together with Gaussian orbital basis sets and norm-conserving
pseudopotentials.
For one Co monolayer on a C(111)-(1×1) surface we find that Co
adsorption in on-top positions is energetically most favorable. The attached
Co monolayer has a weak magnetic moment of 0.69 µB, much
smaller than that of an isolated Co(0001) monolayer, which we find
to be 1.88 µB. This behavior can be attributed to the strong covalent
bond forming between Co and C atoms. Adsorption of further
Co(0001) layers results in a monotonous increase in the magnetic moment
Mtop of the topmost Co layer. In the case of four Co adlayers
Mtop is already close to the magnetic moment at the clean Co(0001)
surface. The evolution of the magnetic moment with increasing number
of Co adlayers will be discussed on the basis of the respective
electronic structure.
O 18.44 (391) Mon 18:30 Poster F
Crystal-induced surface state of Ni(111) modified by a h-
BN overlayer — •Karen Zumbrägel 1 , Christian Eibl 1 , Kathrin
Wulff 1 , Matthias Hengsberger 2 , and Markus Donath 1 —
1 Physikalisches Institut, Westfälische Wilhelms-Universität, Münster,
Germany — 2 Physik-Institut, Universität Zürich, Switzerland
The physics of electronic states at surfaces and interfaces is a highly relevant
topic in the context of miniaturised electronic devices. We have
studied the influence of a monolayer boron nitride (BN) on Ni(111)
with spin-resolved inverse photoemission. While interface states have
already been identified and thoroughly studied with respect to their
dispersion and spin polarization [1], the behaviour of the crystalinduced
surface state of clean Ni(111) [2] upon BN adsorption remains
controversial. Our spin-resolved results will be discussed along with
theoretical and experimental work available in the literature.
[1] K. Zumbrägel, K. Wulff, Ch. Eibl, M. Donath and M. Hengsberger
(to be published) [2] M. Donath, F. Passek, and V. Dose, Phys.
Rev. Lett. 70, 2802 (1993).
O 18.45 (557) Mon 18:30 Poster F
Potential der Mehr-Elektronen-Einfang-Spektroskopie zur
Untersuchung des Oberflächenmagnetismus — •Marco Busch,
Stephan Wethekam und Helmut Winter — Humboldt-Universität
zu Berlin, Institut für Physik, Newtonstraße 15, D-12489 Berlin
Unipan et al. [PRL 96 (2006) 177601; PRA 74 (2006) 062901] haben eine
Methode zum Studium des Oberflächenmagnetismus vorgestellt. Sie
beruht auf dem Zerfall autoionisierender He**-Zustände, die bei der
Streuung von He 2+ −Ionen an Oberflächen durch resonanten Elektroneneinfang
formiert werden. Die relative Besetzung von Singulett- und
Triplett-Zuständen wird zur Bestimmung der lokalen Spin-Polarisation
von Ni(110) verwendet. Ausgehend von T = 300 K wird bei Erhöhung
der Temperatur bis zu TC auf eine Verringerung der Spin-Polarisation
von -90% (bei 300 K) auf 0% geschlossen. In vergleichbaren Experimenten
beobachten wir an Ni(110) eine ausschliessliche Besetzung von
Singulett-Zuständen, die etwa 0,7 eV unterhalb EF liegen, während
der Triplett-Zustand (2,4 eV unterhalb EF ) nur sehr geringfügig besetzt
wird. Eine signifikante Triplett-Population konnte am sauberen
Ni(110) nicht nachgewiesen werden, sondern erst nach Adsorption von
O2 (≪1 L) bei 300 K verbunden mit einer Erhöhung der Austrittsarbeit
um bis zu 0,5 eV. Bei anschliessender Erhöhung der Temperatur
bis zu TC desorbiert der Sauerstoff vollständig und die Besetzung des
Triplett-Zustandes nimmt wieder ab. Unsere Befunde legen daher nahe,
dass die von Unipan et al. beobachteten Effekte auf Verunreinigungen
des Ni(110) sowie deren thermische Desorption zurückzuführen und
nicht mit dem Oberflächenmagnetismus korreliert sind.
Monday
O 18.46 (670) Mon 18:30 Poster F
Magnetic properties of thin Fe films grown on GaAs(110) in a
two-step process — Lars Winking, Martin Wenderoth, •Swante
Sievers, Jan Homoth, and Rainer G. Ulbrich — IV. Phys. Inst.,
Georg-August-Universität Göttingen
Thin Fe films grown on GaAs at room-temperature (RT) or above in
general suffer from As outdiffusion and the formation of nonmagnetic
compounds at the heterointerface [1]. To avoid such a interdiffused
interface we deposited thin Fe films of up to 5 ML thickness on in-situ
cleaved GaAs(110) at 130 K and subsequently annealed them within
2 hours to RT in the second step. At RT we studied the in-plane
magnetic anisotropy (IPMA) of the Fe films in UHV by means of the
Magneto-Optical Kerr Effect (MOKE). Most noticeable and in contrast
to Fe films grown at RT or above is the presence of a clear hysteresis already
at 3.5 ML film thickness as well as an IPMA in [001] [2]. Recent
results on the LT growth of thin Fe films on GaAs(001) suggest that
these properties are due to the suppression of As outdiffusion [1]. This
is substantiated by the square hysteresis loops. The absence of gradual
magnetization reversals indicates single domain Fe films nearly free of
defects or precipitates [3]. From these experimental results we deduce
that reactions at the heterointerface can be efficiently suppressed by
the two-step growth process. This work was supported by the DFG-
SFB 602 TP A7
[1] J.-M. Lee et al., PRB 76, 052406 (2007) [2] M. Gester et al., JAP
80, 347 (1996) [3] Y. Chye et al., APL 80, 449 (2002)
O 18.47 (40) Mon 18:30 Poster F
Mechanochemistry of thiolates on gold surfaces — •Jordi
Ribas, Nisanth N. Nair, and Dominik Marx — Lehrstuhl fuer Theoretische
Chemie, Ruhr Universitaet Bochum, 44780 Bochum
The capability to manipulate molecules on the atomic scale by Atomic
Force Microscopy techniques has recently made it possible to induce
and control chemical reactions and to construct new nanoscale architectures
by applying external mechanical forces. The system consisting
of thiolate molecules adsorbed on gold surfaces is not only well accessible
to such experiments but previous theoretical work [1] has shown
that it is possible to draw gold nanowires when alkylic thiolates are
pulled off a stepped gold surface or off small gold clusters.
In this contribution we will present the results of the computational
studies we have carried out to explore which nanostructures are generated
and which chemical phenomena take place when other more complex
thiolates rather than the alkylic ones are pulled off a gold surface.
Specifically, we will compare the mechanochemical behavior of alkylic
and aromatic thiolates and we will explore the mechanochemistry of
bidentate and tridentate thiolates. These simulations have been performed
by means of DFT static calculations and ab initio molecular
dynamics calculations. Overall, our results have implications for the
stability and degradation of molecule/metal junctions as used, for instance,
in coatings and molecular electronics.
[1] (a) Krüger, D.; Fuchs, H.; Rousseau, R.; Marx, D.; Parrinello,
M. Phys. Rev. Lett. 2002, 89, 186402; (b) Krüger, D.; Rousseau, R.;
Fuchs, H.; Marx, D. Angew. Chem Int. Ed. 2003, 42, 2251.
O 18.48 (55) Mon 18:30 Poster F
Optically monitored wet chemical preparation of SEIRA active
metallic nanostructures — •Dominik Enders 1,2 , Tadaaki
Nagao 1,2,3 , Tomonobu Nakayama 1,2 , and Masakazu Aono 1,2,3
— 1 National Institute for Materials Science (NIMS), 1-1 Namiki,
Tsukuba, Ibaraki, 305-0044, Japan — 2 Nanoscale Quantum Conductor
Array Project, ICORP, JST, 4-1-8 Honcho, Kawaguchi, Saitama,
332-0012, Japan — 3 WPI Center for Materials Nanoarchitectonics
(MANA), 1-1 Namiki, Tsukuba, Ibaraki, 305-0044, Japan
The use of wet chemical methods for the preparation of surface enhanced
infrared absorption (SEIRA) active nanostructures has gained
much interest in the last years because of its easiness, simplicity, and
the low time consumption compared to the known ultra high vacuum
based methods. We present a two-step wet-chemical preparation
method of plasmonic SEIRA active nanostructures. While in the first
step spherical Au nanoparticles are deposited on the SiO2/Si surface,
these nanoparticles are grown in the second step to form elongated
tabular islands close to the percolation threshold. In situ monitoring
of the preparation process by IR spectroscopy ensures the control of
film morphology during the preparation process and enables the reproducible
fabrication of highly sensitive SEIRA films [1].
A comparison of our Au films with SEIRA inactive Au films shows,
that in IR spectra of octadecanethiol, the CH stretching vibrational

peaks are enhanced by several orders of magnitude.
[1] D. Enders, T. Nagao, T. Nakayama, and M. Aono, Jpn. J. Appl.
Phys. (in press).
O 18.49 (130) Mon 18:30 Poster F
Microscale structure formation at the surface of the intercalation
system T aS2 : Rb — Jens Buck 1 , •Eric Ludwig 1 , Florian
Kronast 2 , Kai Rossnagel 1 , Hermann Dürr 2 , and Lutz Kipp 1 —
1 IEAP, Uni Kiel — 2 BESSY, Berlin
Several effects at the surface of the transition metal dichalcogenide
T aS2 occuring under deposition of Rubidium have already been studied
in the past, among them nanowire network formation and the wellknown
metal-insulator transition. Results from spatially resolved experiments
such as PEEM reveal a variety of new surface structures
at the microscale. The evolution of such structures at increasing Rb
concentration was examined stepwise with regard to chemical composition
and topography. In contrast to preliminary results, no creation
of surface cracks could be observed. It is therefore suggested
that crack formation strongly depends on the preparation conditions
and the sample history. The PEEM measurements were performed at
beamline UE49-PGMa at BESSY,Berlin.
O 18.50 (137) Mon 18:30 Poster F
Electron confinement in nanostructures on Cu(111) —
•Sebastian Wedekind, Guillemin Rodary, Dirk Sander, and
Jürgen Kirschner — Max-Planck-Institut für Mikrostrukturphysik,
Weinberg 2, D-06120 Halle(Saale)
The deposition of 0.7 ML Co onto the clean Cu(111) surface at room
temperature leads to the formation of various nanostructures such as
hexagonal and triangular vacancy islands on Cu(111), triangular Co
islands and elongated rectangular stripes of Cu bounded by parallel
dislocation lines. We study the electron confinement within these
nanostructures by the means of scanning tunnelling microscopy (STM)
and spectroscopy (STS) at 7 K and observe pronounced spatial modulation
patterns in the electron local density of states (LDOS) of the
nanostructures. We extract the wave-vector (k) of these LDOS modulation
patterns in the electron energy range from −1 to +1 eV to
obtain the electron dispersion relation. We obtain a discontinuous,
step-like dispersion relation, which indicates wave-vector quantization
according to kn = nπ/d, where d is the characteristic length of the
nanostructure, and n integer [1]. A parabolic fit through the discrete
k-states gives the surface state band edge E0 = −0.43 ± 0.01 eV and
the electron effective mass m ∗ /me = 0.39 ± 0.01, where me is the
electron mass. For the Co islands we find E0 = −0.08 ± 0.02 eV and
m ∗ /me = 0.42 ± 0.01. The step-like dispersion relation also identifies
the complete eigenstate-spectrum of the confined system.
[1] G. Rodary, D. Sander, H. Liu, H. Zhao, L. Niebergall, V. Stepanyuk,
P. Bruno, and J. Kirschner, Phys. Rev. B 75, 233412 (2007)
O 18.51 (474) Mon 18:30 Poster F
Direct Writing of Nanostructures with an Electron-Beam in
Ultra High Vacuum: Concepts, Results and Rerspectives —
Michael Schirmer, Thomas Lukasczyk, Marie-Madeleine Walz,
Florian Vollnhals, Miriam Schwarz, Hans-Peter Steinrück, and
•Hubertus Marbach — Universität Erlangen-Nürnberg, Lehrstuhl
für Physikalische Chemie II, D-91058 Erlangen
The engineering of nanostructures with controlled shape and chemical
composition is of pivotal importance for a large number of technological
applications as well as for fundamental research. In this work we
discuss the generation of nanostructures by using an electron-beam in
an ultra high vacuum (UHV) environment. The presented approaches
are based on the capability of a high energy electron beam to locally
modify adsorbed precursor molecules or the properties of the substrate.
Our main method is the electron-beam induced deposition (EBID).
The novel aspect is to work in an ultra clean environment, i.e., UHV,
which allows us to overcome a hitherto existing limitation concerning
the rather poor cleanliness of the deposits and the size limitation
due to electron-beam spread in bulk substrates. The successful generation
of clean metallic and oxidic nanostructures with lithographic
controlled shapes and with lateral dimensions partially smaller than 10
nm on different substrates are reported. The underlying processes, the
perspectives and applications of EBID in UHV as well as alternative
methods to exploit an electron-beam for lithographic nanostructuring
will be discussed. Supported by DFG grant MA 4246/1-1.
O 18.52 (487) Mon 18:30 Poster F
Investigation of the low dimensional surface system Pt(110)
Monday
by angle-resolved UV-photoemission — •Peter Amann, Mariana
Minca, Michael Cordin, Alexander Menzel, and Erminald
Bertel — Institute of Physical Chemistry, University of Innsbruck,
Innrain 52a, A-6020 Innsbruck, Austria
Photoemission of low dimensional systems is of major importance for
the investigation of correlation. The Pt(110) system provides quasi
one dimensional d-derived surface resonances which bear a divergent
DOS at the Fermi level due to a 2D saddle point topology. Therefore
one can expect maxima in the response function at wave vectors connecting
the saddle points. Furthermore a strong temperature anomaly
of the adsorbate covered system Br/Pt(110) is observed. As the c(2x2)
phase is cooled down from RT to 50K it undergoes a phase transition
and two new phases, the (3x2) and the p(2x1), additionally appear [1].
The various surface systems as well as possible driving mechanisms
(e.g. Fermi-surface nesting) for the transitions are discussed. Additionaly
a detailed investigation of the saddle point topology is done by
temperature dependent Fermi-surface measurements.
[1] E. Dona et. al. Phys. Rev. Lett. 89, 186101 (2007)
O 18.53 (492) Mon 18:30 Poster F
Leed spot profile analysis of a quasi-one-dimensional system
as a function of temperature — •Michael Cordin, Peter
Amann, Enrico Doná, and Erminald Bertel — Institute of Physical
Chemistry, University of Innsbruck, Innrain 52a, A-6020 Innsbruck,
Austria
We employ low-energy electron diffraction (LEED) to investigate phase
transition on the quasi-one-dimensional c(2x2)-Br/Pt(110) surface.
Lowering the temperature yields a transition from a fluctuating, long
range ordered phase at room temperature into an inhomogeneous state.
From the LEED spot profile analysis we determine the temperature
dependence of the fluctuations and the unusual reduction of the long
range order parameter with falling temperature. Furthermore we observe
the appearance of additional LEED spots corresponding to a
primitive (2x1) and a (3x2) overstructure. The transition from the
long-range ordered c(2x2) room temperature state to the inhomogeneous
low-temperature state is completely reversible. The correlation
length in the system is strongly anisotropic. The results agree with
STM data showing the formation of striped disorder and local (2x1)
and (3x2) domains at 60 K. DFT calculations yield a degeneracy of the
three structures at 0 K. The formation of a long-range ordered state
at 300 K out of a low-temperature disordered state seems in apparent
contradiction with entropy considerations, but can be rationalised by
assuming temperature-dependent interactions in the system. A possible
explanation is a Peierls interaction in a surface resonance.
O 18.54 (526) Mon 18:30 Poster F
Fundamental concepts for the structure formation of metalorganic
networks based on oligopyridines and copper —
•Achim Breitruck 1 , Harry E. Hoster 1 , Christoph Meier 2 , Ulrich
Ziener 2 , and R. Jürgen Behm 1 — 1 Institute of Surface Chemistry
and Catalysis, Ulm University, D-89069 Ulm — 2 Institute of
Organic Chemistry III, Ulm University, D-89069 Ulm
We studied the structures of metalorganic coordination networks
formed by Cu co-deposited with Bis-terpyridine (BTP) molecules on
graphite (HOPG). BTP molecules have been shown to form highly
ordered adlayers stabilized by C-H···N type hydrogen bonds. [1] Using
these adlayers as precursors, subsequent deposition of Cu leads
to a partial lift of the hydrogen bonds to allow for the formation of
even more stable Cu···N-pyridine interactions. [2] Depending on the deposited
amount of Cu and BTP and also on the sample temperature
during and after Cu deposition we find a high variety of ordered metalorganic
2D structures. Despite this large variety, similar characteristic
building blocks were observed, in which Cu centers are surrounded
by BTP molecules to form chiral units like CunBTPm (n = 1, 2; m=
3, 4) [2] out of achiral BTP’s.
[1] H.E. Hoster, M. Roos, A. Breitruck, C. Meier, K. Tonigold, T.
Waldmann, U. Ziener, K. Landfester, R.J. Behm, Langmuir 23,
11570-11579 (2007)
[2] A. Breitruck, H.E. Hoster, C. Meier, U. Ziener, R.J. Behm, Surf.
Sci. 601, 4200-4205 (2007)
O 18.55 (615) Mon 18:30 Poster F
Electron-Beam Induced Deposition (EBID) for the Generation
of Nanostructures on Inert Metal Single Crystal Surfaces
— •Marie-Madeleine Walz, Michael Schirmer, Thomas
Lukasczyk, Hans-Peter Steinrück, and Hubertus Marbach —
Universität Erlangen-Nürnberg, Lehrstuhl für Physikalische Chemie

II, D-91058 Erlangen
Nanoelectronic devices, quantum computing and the generation of specific
catalytically active structures are some applications in the fast
growing field of nanotechnology. The prerequisite in this field is the
generation of nanostructures of high purity and defined shapes. For
this purpose electron-beam induced deposition was applied under ultra
high vacuum (UHV) conditions. With this method, adsorbed precursor
molecules are locally cracked, mainly by secondary electrons resulting
from the impact of a high energy primary electron-beam from
a scanning electron microscope (SEM). After the successful generation
of clean metallic and oxidic nanostructures on semiconductor and
reactive metal substrates, this contribution focuses on inert metal surfaces
as substrates. Thereby, unwanted processes, like the catalytic
decomposition of the precursor molecules without electron exposure,
should be reduced. The generation of metallic or oxidic nanostructures
was performed with various organometallic precursor molecules.
One example is the fabrication of titanium oxide nanostructures on a
Au(111) surface using Ti( i OPr)4 as precursor molecule. The chemical
composition was studied by local Auger electron spectroscopy (AES).
The work is supported by DFG grant MA 4246/1-1.
O 18.56 (650) Mon 18:30 Poster F
Deviation from pure s-wave scattering of surface-state electrons
from adatoms — •Tobias Sonnleitner and Jascha Repp —
Institute of Experimental and Applied Physics, University of Regensburg,
93040 Regensburg
Surface state electrons on the close-packed surfaces of noble metals
form a two-dimensional nearly-free electron gas. The scattering of the
electrons off adatoms generates standing wave patterns in the electron
density, which can be directly observed with the scanning tunneling
microscope. Analysis of the standing wave patterns provides a direct
way to determine the scattering properties of the adatoms. So far
it has been widely accepted that metal adatoms act as s-wave scatterers
due to the efficient screening of the adatom potential by bulk
electrons. However, a deviation from a pure s-wave scattering would
only express itself in the fraction of the standing wave pattern arising
from multiple scattering events. This fraction is rather small since
adatoms act as ideal absorbing black scatterers. Therefore, it is not
obvious from the experimental point of view, that the assumption of
a pure s-wave scattering is justified. To this end we have studied isolated
pairs of copper adatoms on a clean Cu(111) substrate surface.
The standing-wave patterns around these pairs have been analyzed in
numerous different arrangements in order to average out effects from
other scattering centers far away. In comparison to calculated patterns
the fraction of these patterns arising from multiple scattering events
has been extracted.
O 18.57 (654) Mon 18:30 Poster F
Non-linear Optical Properties of Nanostructured Metal Surfaces
— •Heike Arnolds 1 , Natalia Garcia 1 , Simon J. Henley 2 ,
and J. David Carey 2 — 1 Surface Science Research Centre, University
of Liverpool, Oxford Street, Liverpool, L69 3BX, UK — 2 Nano-
Electronics Centre, Advanced Technology Institute, School of Electronics
and Physical Sciences, University of Surrey, Guildford GU2
7XH, UK
Nanosecond pulsed-laser irradiation of Ag and Ni thin films was employed
to produce nanostructured Ag/SiO2 and Ni/SiO2 substrates.
By tailoring the laser fluence, it is possible to controllably adjust the
mean diameter of the resultant near-spherical metal droplets [1]. We
have investigated the nonlinear optical properties of these nanostructured
films and find a strong enhancement of femtosecond infraredvisible
sum and difference frequency yields by two to three orders
of magnitude, depending on the exact size and shape of the metal
droplets. The likely cause of the enhancement is the excitation of
plasmons in the infrared and visible regions of the spectrum and the
concomitant electric field enhancement near the metal droplets. We
discuss the use of these films for plasmon-enhanced photochemistry.
[1]S.J. Henley, J.D. Carey, and S.R.P. Silva, Appl. Phys. Lett. 88,
081904 (2006)
O 18.58 (684) Mon 18:30 Poster F
STM analysis of the fluctuations at 2D phase boundaries between
ordered and disordered organic adlayers — •Thomas
Waldmann, Harry E. Hoster, and R. Jürgen Behm — Institute
of Surface Chemistry and Catalysis, Ulm University, D-89069 Ulm,
Germany
Monday
The dynamic equilibrium between distinct 2D phases of organic
molecules on Ag(111)-oriented films on Ru(0001) at room temperature
are studied by time resolved STM. As recently found, the parallel
chain structure (PCS) [2] formed by a bis(terpyridine) derivative (2,4’-
BTP)[1] can be produced coexistent with a disordered 2D molecular
adlayer [2]. At the boundaries between both phases a continuous exchange
of molecules takes place with equal rates. At room temperature,
these fluctuations are too fast for direct STM-observation, even at scan
rates of 5 images s −1 . Adapting the approach previously applied to
analyse the step dynamics at metal surfaces [3], we evaluated the displacement
of the phase boundary in single scan lines as a function of
time. The results are discussed in comparison with 2D phase equilibria
observed at other coverages [4] and with metal step fluctuations.
[1] C. Meier, U. Ziener, K. Landfester, P. Weihrich, J. Phys. Chem.
B 109, 21015 (2005)
[2] M. Roos, H.E. Hoster, A. Breitruck, R.J. Behm, Phys. Chem.
Phys. 9, 5672 (2007)
[3] M. Giesen, S. Baier, Atomic transport processes on electrodes in
liquid environment, J. Phys.: Condens. Matter 13, 5009 (2001)
O 18.59 (703) Mon 18:30 Poster F
Modes in dielectric loaded surface plasmon polariton waveguides
— •Jan Renger 1 , Maria Ujué González 1 , Sukanya
Randhawa 1 , Romain Quidant 1 , Sébastien Massenot 2 , Jonathan
Grandidier 2 , Alexandre Bouhelier 2 , Gerard Colas des
Francs 2 , Laurent Markey 2 , Jean-Claude Weeber 2 , and Alain
Dereux 2 — 1 ICFO-Institut de Ciencies Fotoniques, 08860 Castelldefels
(Barcelona), Spain — 2 Institut Carnot de Bourgogne, UMR 5209
CNRS-Université de Bourgogne, F-21078 Dijon Cedex, France
Surface plasmon polaritons (SPPs) existing at metal/dielectric interfaces
feature a high confinement of the electromagnetic field, which
make them very promising for small photonic devices and biochemical
sensors. Dielectric loading of the metal surface by thin dielectric layers,
such as SiO2, can be used to alter the SPP effective mode index
neff . In this way, optical elements can be designed by patterning the
dielectric layer to get areas with different neff . In particular, SPP
waveguides can be obtained by depositing thin SiO2 stripes on top
of gold films. We analysed the SPPs on dielectric loaded waveguides
having a width down to 100 nm by leakage radiation microscopy. The
imaginary part of neff - therewith the propagation length - was measured
in the object plane; the real part of neff was determined in the
Fourier plane. The measured propagation length for very narrow dielectric
stripes is close to the SPP propagation length at the bare metal
interface. For increasing width of the dielectric stripes, the additional
modes contribute and the propagation length is reduced to the value
at an infinite extending dielectric loaded metal film.
O 18.60 (476) Mon 18:30 Poster F
Ab initio study of oxygen adsorption and initial incorporation
in Pd-Pt alloy — •Arezoo Dianat, Manfred Bobeth, and
Wolfgang Pompe — Institut fuer Werkstoffwissenschaft, Technische
Universitaet Dresden, Germany
In order to get insight into the catalytic behavior of the bimetallic alloy
Pd-Pt, the adsorption of oxygen on the alloy surface as well as the
initial oxygen incorporation have been studied by means of densityfunctional
theory. Due to segregation processes the composition of
the near-surface layers of the alloy is in general different from the bulk
composition. In this work, ordered bulk phases (L10,L12) of PdxPt1−x
with compositions x = 0.25, 0.5, 0.75 as well as different compositions
and atom configurations of the two outermost layers have been investigated.
Adsorption energies for oxygen adsorbed on the (111) alloy
surface and for oxygen in sub-surface position have been calculated for
different oxygen coverages (0.25 to 1 ML). In the case of oxygen adsorption
on the surfaces, the highest adsorption energy at low oxygen
coverage (≤ 0.25 ML) has been found for the Pd0.5Pt0.5 composition
o f the two outermost layers, whereas at higher coverage the oxygen
binding energy is highest for a Pd-rich first monolayer and Pt-rich second
monolayer. Interestingly, on the latter layer system the oxygen
adsorption energy is higher than on pure Pd(111). Oxygen occupation
of sub-surface sites starts at a coverage of 0.5 ML for all alloy models
considered. The calculated oxygen adsorption energy depends only
weakly on the bulk composition. It increases slightly with Pt bulk
concentration, but it differs less than 50 meV.
O 18.61 (504) Mon 18:30 Poster F
Growth and characterization of single-wall carbon nanotubes
for electronic and optical applications — •Hans Kleemann,

Philipp Zeigermann, Michael Blech, Mathias Steglich, and
Bernd Schröter — Universität Jena, Institut für Festkörperphysik,
Max-Wien-Platz 1, 07743 Jena, Deutschland
A controlled growth of carbon nanotubes with particular structural
and electronic properties at predefined positions on solid substrates
is a prerequisite to utilize them in electronic or nanooptical devices.
We grow single-wall nanotubes by thermal chemical vapour deposition
(CVD) on various substrates like silicon, fused silica and sapphire as
well as on silicon carbide. Metal films are vacuum-evaporated to catalyze
the growth of high-purity single-wall nanotubes by CVD using
methane as precursor gas. The quality of nanotubes is tested by raman
and x-ray spectroscopy: residual catalyst amount and contamination
is in general lower than the detection limits of these techniques. The
morphology and orientation of the nanotubes is characterized by scanning
electron and atomic force microscopy. A preferred orientation is
observed on the (single-crystalline) surface of sapphire.
O 18.62 (179) Mon 18:30 Poster F
Self-selection and Error Correction in Multi-ligand
Supramolecular Networks at Surfaces — •Steven L. Tait 1 ,
Alexander Langner 1 , Nian Lin 1 , Chandrasekar Rajadurai 2 ,
Mario Ruben 2 , and Klaus Kern 1,3 — 1 Max-Planck-Institut für
Festkörperforschung, Stuttgart — 2 Forschungszentrum Karlsruhe
GmbH — 3 Ecole Polytechnique Fédérale de Lausanne, Switzerland
Supramolecular networks stabilized by metal–organic coordination can
be designed to self-organize in regular, two-dimensional lattices at surfaces,
whose dimensions and properties can be controlled by selection
of the organic ligand components. This approach offers a natural and
highly efficient alternative to current nano-fabrication methods and
provides a model system for (bio-)molecular assembly. With highresolution
scanning tunneling microscopy of such networks, we demonstrate
structural error correction during assembly achieved by active
molecular self-selection. Experiments were made by deposition of Fe
atoms and organic ligands at the Cu(100) surface. Binary mixtures
of complementary ligands allow for constructions of highly-ordered 2D
arrays of compartments, whose shape and size can be predictably programmed
by modular ligand replacement. Redundant mixtures of ligands
of different sizes demonstrate the ability of the system to correct
structural errors and achieve a high degree of order by sorting themselves
into rows according to molecule size. We contrast this with a
ligand mixture where the energy landscape of the intermolecular interactions
does not activate an error correction mechanism, but rather
provides a route for structural error tolerance.
O 18.63 (275) Mon 18:30 Poster F
Growth of SiGe nanoislands on prestructured silicon subtrates
— •Marlen Schulze, Anne-Kathrin Gerlitzke, and
Torsten Boeck — Institute for Crystal Growth in the Forschungsverbund
Berlin e. V.
Coherently strained and highly ordered silicon-germanium nanoscale
pyramids on silicon, grown by liquid phase epitaxy (LPE) via the
Stranski*Krastanov growth mechanism are very interesting objects to
reduce the size of semiconductor devices. Generally, LPE is very well
appropriate to study fundamental atomistic processes at the liquidsolid
interface because it operates very close to thermodynamical phase
equilibrium.
A patternlike array of SiGe nanostructures has been realised on prestructured
silicon substrates. Si (100) substrates have been patterned
by squarelike oxide stripes using local oxidation nanolithography in an
atomic force microscope (AFM). The width of the stripes is precisely
controlled by progress of the lateral oxidation. Subsequently, LPE was
employed to grow SiGe nanoislands on the prepatterned substrates.
The truncated pyramids are arranged within the oxide-free cavities directly
along the stripes. The final island size significantly probes an
effectively lowered lattice mismatch, i.e. a locally expanded crystal
lattice in noncovered areas of the silicon substrate.
O 18.64 (308) Mon 18:30 Poster F
Surface- induced handedness in adsorbed layers — •Philipp
Schmidt-Weber 1 , Thorsten Kampen 1 , Arantzazu Mascaraque 2 ,
Rocio Cortez 2 , Jan-Hugo Dil 1 , and Karsten Horn 1 — 1 Fritz-
Haber-Institut der Max-Planck-Gesellschaft, Berlin — 2 Universidad
Autonoma de Madrid, Spain
Molecules that are achiral in the gas phase may acquire a chiral character
through the loss of symmetry elements, which has a strong influence
on their arrangement in long-range ordered structures. We have
Monday
studied stilbene and its derivates, using STM, LEED and photoemission
with the aim of identifying such ordering processes. Dicarboxystilbene
(DCSB) loses its carboxyl hydrogen atom when adsorbed on
Cu(110), and acquires a handedness on the surfaces which is readily
seen in STM images. The two enantiomers then arrange in different
long-range ordered structures (”herringbone” and ”parquet” patterns),
which themselves possess a handedness, i.e. they exist in a dextro- and
laevo- form. Using STM images in which both the substrate and the
adsorbate are imaged with atomic resolution, we were able to identify
two distinct types of adsorption sites as basic building blocks of
the long-range structures. One of these (the ”parquet” pattern) is
enantiomerically pure, while the other (”herringbone”) is a racemic
structure. The fact that the latter is the thermodynamically stable
one can be understood from general thermodynamic principles.
O 18.65 (347) Mon 18:30 Poster F
Comparative study of the structure formation by two different
bis(terpyridine)derivates (BTP) on HOPG — •Michael
Roos 1 , Christoph Meier 2 , Daniel Caterbow 2 , Harry E. Hoster 1 ,
Ulrich Ziener 2 , and R. Jürgen Behm 1 — 1 Institute of Surface
Chemistry and Catalysis, Ulm University, D-89069 Ulm, Germany —
2 Institute of Organic Chemistry III, Ulm University, D-89069 Ulm,
Germany
Depostition of BTP molecules on HOPG by evaporation in UHV or
from solution leads to large domains of highly ordered structures, which
are stabilized by C-H···N type hydrogen bonds [1-3]. The energetically
most favorable molecule-molecule configuration can be modified
by varying the position of the N-atoms within the BTP molecules.
Furthermore, depending on the deposited amount and the deposition
conditions (solvent and concentration), a large variety of ordered structures
is obtained. The possibility to describe these structures as a sum
of localized molecule-molecule and molecule-substrate interactions is
discussed. In addition, the role of dynamic effects like molecule mobility
and rotation for the stability of the different phases is considered.
1. H. E. Hoster et al., Langmuir 23, 11570 (2007).
2. A. Breitruck et al., Surf Sci 601, 4200 (2007).
3. C. Meier et al., J Phys Chem B 109, 21015 (2005).
O 18.66 (370) Mon 18:30 Poster F
SERS and single-molecule SERS in metallo-dielectric structures
— •Manuel Rodrigues Gonçalves, André Siegel, and Othmar
Marti — Ulm University, Institute of Experimental Physics,
Albert-Einstein-Allee 11, D-89081 Ulm, Germany
Surface enhanced Raman scattering (SERS) refers to a technique to
enhance the Raman scattering cross section of few molecules adsorbed
on metallic surfaces, in order to achieve high enhanced spectra. Despite
its success as a chemical identification technique at very low molecular
concentrations, its main drawbacks are the extreme sensitivity to
the electromagnetic enhancements of the metallic structures, the poor
reproducibility, and the fabrication of structures with defined strong
field enhancements at specific wavelengths.
Single-molecule SERS requires very high field enhancements, of the
order of 10 14 . The Raman spectra of very few, or single molecules
present a blinking behaviour. It is commonly accepted that the blinking
is characteristic of the Raman spectra of single molecules, adsorbed
at metallic clusters or structures with extreme enhancements.
We have fabricated metallo-dielectric structures suitable for SERS
using colloidal crystals as templates. The fabrication of the structures
is reproducible. FEM and FDTD calculations indicate that very high
field enhancements can be expected. Experiments using a confocal Raman
microscope find blinking SERS at the predicted locations. This
is an indication of a low number of molecules in the detection volume.
O 18.67 (535) Mon 18:30 Poster F
Nanosecond-laser interference pattering at 266nm wavelength
— •Mike Hettich, Stephen Riedel, Paul Leiderer, and Johannes
Boneberg — University of Konstanz, Departement of Physics,
D-78457 Konstanz, Germany
Direct laser interference patterning by ns-laser pulses allows producing
periodic surface structures in a single illumination step. For that purpose
thin metallic films (Au, Ta) or Si wafers are irradiated by two or
more interfering laser beams. The local intensity variations achieved
in this way induce lateral flow of material. We show that this enables
achieving structures with a periodicity down to 150nm, if the fourth
harmonic of a ns-Nd:YAG-laser is used. Upon moving the substrate
laterally between the first and subsequent illumination steps, structure
periods below λ/2 can be realized.

O 18.68 (544) Mon 18:30 Poster F
SERS on micro-fabricated sharp-etched nanostructures —
•Henrik Schneidewind 1 , Uwe Hübner 1 , Dana Cialla 2 , Roland
Matthes 1 , Jörg Petschulat 3 , Siegmund Schröter 1 , and Jürgen
Popp 1,2 — 1 Institute of Photonic Technology (IPHT), Albert-
Einstein-Straße 9, 07745 Jena, Germany — 2 Friedrich-Schiller-
University Jena, Department of Physical Chemistry, Jenaer Biochip
Initiative (JBCI), Helmholtzweg 4, 07743 Jena, Germany —
3 Friedrich-Schiller-University Jena, Institute of Applied Physics, Center
for Ultra-Optics, Max-Wien-Platz 1, 07743 Jena, Germany
We introduce highly reproducible metallic nanostructure arrays which
can be used as active substrates for the Surface Enhanced Raman
Spectroscopy (SERS). The arrays were prepared by means of e-beam
lithography, vacuum deposition, and ion-beam etching. The sharpedged
gold nanostructures with corner radii smaller than 20 nm are
arranged in arrays with a periodicity of 200 nm. Sharp-edged structures
were chosen instead of round dots, which are easier to prepare, in
order to achieve large enhancement factors by using the lightning rod
effect. The resonance frequency of the arrays was determined by using
UV-Vis-spectrometry in order to select the excitation wavelength for
SERS experiments. The arrays showing uniform SERS-signals across
the whole field size of 0.2 mm in edge length are ready for practical
use, which will be shown using a dye as test substance.
O 18.69 (196) Mon 18:30 Poster F
In-situ Etching of self-organized InAs/GaAs (001) Quantum
Dots — •Theresa Lutz 1 , Takayuki Suzuki 1 , Lijuan Wang 1 , Suwit
Kiravittaya 1 , Armando Rastelli 2 , Oliver G. Schmidt 2 , Giovanni
Costantini 1 , and Klaus Kern 1,3 — 1 Max Planck Institute for Solid
State Research, Stuttgart — 2 Leibniz Institute for Solid State and
Materials Research, Dresden — 3 Ecole Polytechnique Fédérale de Lausanne,
Switzerland
It is well known that the epitaxial growth of InAs on GaAs(001) leads
to the development of strain induced nanoscale islands with high crystalline
quality. Because of the enormous potential for device applications
there is a great interest in understanding the growth process in
detail. Even though there are a lot of experimental results concerning
the growth of quantum dots, the physics behind it is not completely
understood yet. Recently, it has been shown that during growth a
transition takes place from small shallow faceted pyramidal islands to
bigger and steeper islands, so-called domes. We use selective InAs insitu
etching to systematically modify the island size. The result is a
backward transition of the islands as a function of the etching time.
The details of the shape transition are discussed taking into account
the non-uniform composition of the islands. This demonstrates that
the shape of the quantum dots depends on their size and composition,
which is typical for processes close to thermodynamic equilibrium.
O 18.70 (253) Mon 18:30 Poster F
Fabrication of Cobalt clusters by pulsed laser deposition —
•Markus Trautmann, Christian Pansow, Matthias Büenfeld,
Veit Große, Frank Schmidl, and Paul Seidel — Institut für
Festkörperphysik, Friedrich-Schiller-Universität Jena, Helmholtzweg 5,
D-07743 Jena
Besides Fe and Ni (and different Fe-/Ni-compounds) Co is a catalyst
material used in synthesis of carbon nanotubes (CNTs). Clusters can
be formed for example by annealing of thin Co films which are usually
produced by sputtering technique or electron beam evaporation. To
get applicable clusters for the growth of CNTs thin films of about 1 nm
are required. In this work we use pulsed laser deposition (PLD). This
method enables low deposition rates of less than 0,04 monolayers per
pulse using a 99,99 % Co target and a KrF excimer laser. We present
our experimental set up for PLD under different vacuum conditions to
produce Co layers on SiO2-coated Si-substrates. First results of surface
and film analysis using different methods as atomic force microscopy
(AFM), x-ray diffraction (XRD), scanning electron microscopy (SEM)
and Auger electron spectroscopy (AES) will be presented.
O 18.71 (456) Mon 18:30 Poster F
Production of patterned metal clusters using Focused Ion
Beams (FIB) — •Farhad Ghaleh 1 , Niklas Grönhagen 1 , Heinz
Hövel 1 , Lars Bruchhaus 2 , Sven Bauerdick 2 , Jürgen Thiel 2 , and
Ralf Jede 2 — 1 Technische Universität Dortmund, Exp. Physik I,
Dortmund — 2 Raith GmbH, Dortmund
Nanometer sized pits on HOPG substrates can be used as nucleation
centers to produce clusters with a narrow size distribution. In previ-
Monday
ous experiments [1] nanometer sized pits were produced by sputtering
and oxidizing the sample. As a result we get nanopits which are a few
nanometers wide and only one monolayer deep, distributed at random
locations on the surface.
In the present study a focused beam of gallium ions is used to produce
nanopits in a given pattern on the substrate. The FIB instrument
(Raith ionLiNE) is capable of a resolution below 10 nm [2]. Using the
nanopits as nucleation centers we are able to produce patterned gold
islands as well as patterned silver clusters by depositing metal atoms.
Furthermore the nanopit distribution on the surface in combination
with Monte Carlo simulations helps investigating the ion beams, e.g.
ion distribution, recoils as well as the penetration depth of the ions [3].
In this respect the oxidation of HOPG-samples provides a method to
study the ion impact effects.
[1] H. Hövel, Appl. Phys. A 72, 295 (2001)
[2] J. Gierak et al.: Appl. Phys. A 80, 187 (2005)
[3] F. Ghaleh, R. Köster, H. Hövel, L. Bruchhaus, S. Bauerdick, J.
Thiel, R. Jede: J. Appl. Phys. 101, 044301 (2007)
O 18.72 (515) Mon 18:30 Poster F
In-situ Scanning Tunneling Microscope studies of the ripening
process of InAs Quantum Dots on GaAs during Growth
in the MOVPE — •M. Guderian, R. Kremzow, M. Pristovsek,
and M. Kneissl — TU Berlin, Institut für Festkörperphysik, EW 6-1,
Hardenbergstr. 36, D-10623 Berlin, Germany
Quantum dots (QD) are highly interesting for a number of different
applications, like single photon emitters or semiconductor lasers. For
industrial applications these optoelectronic devices are mainly grown
by metal organic vapour phase epitaxy (MOVPE) systems which allows
mass fabrication. QD growth has been studied intensely, but the
understanding of the mechanisms responsible for the formation of the
QDs and especially of the ripening process is still poor. In order to investigate
the dynamics of the ripening process and to clarify the theory
of QD ripening we employed our novel in-situ scanning tunnelling microscope
(STM) technique which allows measurements directly during
MOVPE growth. In this presentation we will discuss the ripening process
of InAs QDs on GaAs(001):Si at 475 ◦ C where the development of
the surface was analysed directly with the in-situ STM. Ex-situ AFM
measurements showed a big scattering of the data, due to different
substrates and varying cooling rates, while the in-situ measurements
showed clear trends in RMS roughness and size distributions. E.g. the
dot density decreased proportional to e −1 while the average dot size
increased. In comparison of different ripening theories our experimental
result follows the classical Ostwald ripening theory for the InAs on
GaAs(001):Si system.
O 18.73 (528) Mon 18:30 Poster F
Melting behaviour of metallic nanostructures — •Daniel Benner,
Anja Habenicht, Paul Leiderer, and Johannes Boneberg —
Universität Konstanz, Fachbereich Physik, LS Leiderer, 78457 Konstanz
Triangular flat metallic nanostructures and metallic films of identical
thickness on inert substrates (e.g. glass, silicon) are illuminated by
single intensive nanosecond laser pulses with fluences at and above the
melting threshold and the melting behaviour of these two systems is
compared.
For the metallic thin films we determine the melting threshold by
nanosecond time-resolved reflectivity measurements which can be used
to deduce the melting time. Upon melting of the nanostructures a
dewetting process sets in which also reduces the reflected intensity.
Our measurements show that the dewetting process of the nanostructures
sets in at laser intensities well below the melting threshold of the
films. For the dimensions of the nanostructures used here (thickness
˜50nm, lateral dimensions ˜ 200nm) reduced melting temperatures are
not expected. Therefore we assign that behaviour to the increased absorption
cross section of the nanostructures.
O 18.74 (540) Mon 18:30 Poster F
Preparation and Characterization of Gold Nanocrystals on
the native Oxide Layer of Si-Surfaces — •Jawad Slieh, Andreas
Winter, Aaron Gryzia, Armin Brechling, Wiebke Hachmann,
and Ulrich Heinzmann — Molecular and Surface Physics, Bielefeld
University
We report on the fabrication of gold crystals in the size range between
one hundred nm and several µm, using a combination of a sputter
and an annealing technique. Gold was deposited on the native oxide
layer of freshly cleaned silicon wafer pieces (10 × 10 mm 2 ) in an

inert gas sputtering chamber at a rate of 5 nm/min. Subsequently
the samples were transferred into a UHV chamber and annealed for
several hours at temperatures between 800 ◦ C and 1000 ◦ C. The deposited
gold layer thickness and the annealing temperature and time
have been studied systematically. After preparation, the gold crystals
were characterized by means of different techniques such as Atomic
Force Microscopy (AFM), Transmissions Electron Microscopy (TEM),
Scanning Electron Microscopy (SEM), X-Ray Diffraction (XRD) and
Laue Diffraction.
These different sized gold crystals will be used in a diffraction experiment
(Laue configuration) with a micro focus x-ray tube (Oxford
Instruments UltraBright) in order to estimate the minimal crystal size
for the observation of diffraction spots of individual gold crystals. First
results of these experiments will also be discussed.
O 18.75 (555) Mon 18:30 Poster F
Mass selected Co clusters in contact with semiconductor surfaces
— •Viola v. Oeynhausen, Kristian Sell, Ingo Barke, and
Karlheinz Meiwes-Broer — Institut für Physik, Universität Rostock,
Universitätsplatz 3, 18051 Rostock
Metal-semiconductor structures are of substantial technical relevance
since Schottky-barrier based devices are fundamental elements of highspeed
electronic applications. Metal nanoparticles on semiconductor
surfaces can be seen as a model system for such devices. The Scanning
Tunneling Microscope (STM) provides insight in transport properties
on nanometer scale and at low temperature. Furthermore, it reveals
the geometric structure and shape of clusters, an important prerequisite
for understanding the detailed electronic and magnetic properties.
We produce mass-selected Co clusters with an Arc Cluster Ion Source
(ACIS) and deposite them onto Si(111)7x7 and Ge(001) under UHV
conditions. These are ideal substrates due to their well-known electronic
structure and simple preparation under UHV conditions. They
serve as a reference in STS measurements, thus minimizing tip-induced
artefacts. Macroscopic Cobalt surfaces show dominant, highly localized
d-states near the Fermi level . Such states are proposed to cause
interesting effects like Kondo interaction and spin modulation of captured
surface state electrons.
O 18.76 (638) Mon 18:30 Poster F
Study of supported metal Clusters and nano Dots with time
and energy resolved PEEM — •Martin Rohmer 1 , Christian
Schneider 1 , Michael Bauer 2 , Heinz Hövel 3 , Farhad Ghaleh 3 ,
and Martin Aeschlimann 1 — 1 Technische Universität Kaiserslautern,
67663 Kaiserslautern — 2 Institut für Experimentelle und
Angewandte Physik, Universität Kiel, 24118 Kiel — 3 Experimentelle
Physik I, Universität Dortmund, 44221 Dortmund
The ultrafast dynamics associated with collective (plasmon) excitations
as well as single electron excitations in supported clusters is addressed
with high lateral resolution by means of the time- and energy
resolved two-photon Photoemission Electron Microscopy (TR-
2PPEEM). Experiments performed at different cluster and nanostructured
systems show that this setup is capable to map even very small
particle to particle variations in the hot electron lifetime of the order of
a few femtoseconds [1]. The high temporal sensitivity of time-resolved
PEEM to these inhomogenities arises from the parallel data acquisition
mode intrinsic to this technique. It significantly reduces the
resolution limiting influence of systematic error arising from temporal
fluctuations in the experimental parameters. Here we report about
the potential and our progress in measuring electron live times in silver
clusters and nano dots.
[1] Mapping the femtosecond dynamics of supported clusters with
nanometer resolution, M. Rohmer, F. Ghaleh, M. Aeschlimann, M.
Bauer, H. Hövel; Eur. Phys. J. D, Online First
O 18.77 (277) Mon 18:30 Poster F
Image-potential states at (001) surfaces of alkaline-earth
metal oxides — •Björn Baumeier, Peter Krüger, and Johannes
Pollmann — Institut für Festkörpertheorie, Universität Münster,
Wilhelm-Klemm-Str. 10, 48149 Münster
We present the results of a comparative ab initio study of the atomic
and electronic structure of MgO, CaO, SrO and BaO and their relaxed
(001) surfaces. Based on density functional theory, we use selfinteraction-corrected
pseudopotentials which permit a reliable description
of electronic properties, in particular. The calculated bulk and
surface geometric structures are consistent with well established literature
data. The bulk electronic structure turns out to be in very
good agreement with the results of quasiparticle calculations and ex-
Monday
periment. Concerning surface electronic properties, the calculations
reveal, in particular, that MgO(001), CaO(001) and SrO(001) exhibit
negative electron affinity while BaO(001) does not. As a consequence,
not only bound surface states which are localized at the surface occur
in the former three cases but also a salient band of image-potential
states appears in sections of the surface Brillouin zone which reside
in vacuum in front of the surface. Such image-potential states do not
arise at the BaO(001) surface.
The image-potential states at MgO(001) are compared to traditional
image-potential states at Cu(001) and to traditional surface states at
MgS(001), respectively. This exemplary comparision reveals details of
the peculiar nature of the image-potential states at (001) surfaces of
alkaline-earth metal oxides.
O 18.78 (433) Mon 18:30 Poster F
Tensor LEED study of the surface relaxation of SrF2(111) —
•Stephan Härtel, Jochen Vogt, and Helmut Weiss — Chemisches
Institut der Otto-von-Guericke-Universität Magdeburg, Universitätsplatz
2, D-39106 Magdeburg
The knowledge about the surface relaxation of other insulators than
the alkali halides is comparatively weak yet. Experimental work was
carried out for instance for CaF2(111) and BaF2(111) [1] which both
crystallize in the fluorite structure. Very often those two compounds
are treated together with the homologous material SrF2 but up to
now there are no quantitative experimental results available for the
surface relaxation of this alkaline earth fluoride. In the present work
the SrF2(111) surface was investigated by means of LEED in an energy
range from 80 to 320 eV. The recorded I(E) data were analyzed
using the tensor LEED approach. The topmost F − layer in the first
F-Sr-F triple layer is shifted inward by 0,13±0,07 ˚A whereas the Sr 2+
layer does not exhibit a significant shift. The following F − layer is also
relaxed towards the bulk by 0,07±0,07 ˚A which is in the range of the
measuring accuracy. No significant changes of the ion positions in the
deeper triple layers were observed. The results are in qualitative good
agreement with a theoretical calculation [2] for SrF2(111).
[1] Vogt, J. et al., Surf. Sci. 578 (2005)
[2] Jockisch et al., J. Phys.: Cond. Matt. 5 (1993)
O 18.79 (572) Mon 18:30 Poster F
Exploring Optical Properties of MgO Films with an STM
— •Hadj Mohamed Benia, Philipp Myrach, Niklas Nilius, and
Hans-Joachim Freund — Fritz-Haber-Institut, Berlin, Germany
Electron injection from the tip of an STM is used to stimulate local
photon emission from the surface of a thin MgO film on Mo(001).
Depending on the excitation energy, several emission regimes are identified
on the basis of the energy and the spatial distribution of the
emitted photons. At low excitation bias, tip-induced plasmons are
preferentially excited in the tip-sample gap, carrying little information
on the oxide. With increasing tip bias, radiative electron transitions
between field-emission resonances dominate the optical response.
Their dependence on the local work function allows mapping of this
quantity across the oxide film. Intrinsic optical modes of the MgO,
e.g. radiative decays of excitons, are only observed when operating
the STM in the field emission regime.
O 18.80 (624) Mon 18:30 Poster F
Diffraction of fast atoms and molecules during grazing scattering
from a LiF(001) Surface — •Andreas Schüller, Stephan
Wethekam, and Helmut Winter — Humboldt-Universität zu Berlin,
Institut für Physik, Newtonstraße 15, 12489 Berlin
Neutral atoms and molecules with energies from 300 eV up to some
10 keV are scattered under a grazing angle of incidence from a clean
and flat LiF(001) surface. For scattering along low index directions
in the surface plane (”axial surface channeling”) we observe defined
patterns in the intensity distributions for scattered atoms which can
be attributed to diffraction effects [1, 2]. The data can be understood
by diffraction of fast atoms at the surface where the symmetry of the
crystal lattice and of the interaction potential between atom and surface
determine the diffraction pattern. The periodicity of the surface
potential follows the geometrical arrangement of surface atoms and
determines the angular position of diffraction peaks. The corrugation
of the surface potential determines the characteristic intensity modulations
of these diffraction peaks which can be observed also for fast
and for heavy atoms, where diffraction based on the periodicity of the
crystal lattice can not be resolved. Such so called ”supernumerary
rainbows” allows one to derive the corrugation of atomic interaction
potentials in the eV regime with high accuracy.

[1] A. Schüller, S. Wethekam, and H. Winter, Phys. Rev. Lett. 98,
016103 (2007).
O 19: Evening Talk Gerhard Ertl
Monday
[2] P. Rousseau, H. Khemliche, A.G. Borisov, and P. Roncin, Phys.
Rev. Lett. 98, 016104 (2007).
Time: Monday 20:00–21:00 Location: Urania/H 0105
Reaktionen an Festkörper-Oberflächen: Vom Atomaren zum Komplexen
O 20: Plenary Talk James Hudspeth
Time: Tuesday 8:30–9:15 Location: H 0105
How hearing happens
O 21: Invited Talk Stefan Blügel
Time: Tuesday 9:30–10:15 Location: HE 101
Invited Talk O 21.1 (10) Tue 9:30 HE 101
Electrons at Surfaces Taking an Unexpected Turn — •Stefan
Blügel — Institut für Festkörperforschung, Forschungszentrum
Jülich, D-52425 Jülich, Germany
Electrons in the vicinity of surfaces are in a space asymmetric environment.
This causes a number of interesting phenomena, like the Rashba
spin-orbit effect [1], spin-depending scattering [2] and spin-polarized
electrons [3] at non-magnetic surfaces, which little attention had been
paid to in the past. For electrons at magnetic surfaces, thin films and
nanostructures also time-inversion symmetry is broken. This can give
rise to an unidirectional exchange interaction, known as Dzyaloshinsky-
Moriya (DM) interaction. Although this interaction, favoring spatially
rotating spin structures, is known for nearly 50 years, its consequences
O 22: Invited Talk Johannes Pollmann
for the magnetic structure in low-dimensional magnets remained basically
unexplored. We show by ab initio calculations that the DM
interaction can cause homochiral magnetic phases at achiral surfaces
– phases, which had been overlooked during the past 20 years – but
have been observed recently in terms of a left rotating cycloidal spiral
for Mn on W(110) [4]. Theoretical models [5] display a rich phase diagram
of possible magnetic phases. At the end, I will present arguments
motivating the search for the existence of a lattice of nano-skyrmions.
[1] Yu. M. Koroteev et al., Phys. Rev. Lett. 93, 046403 (2004).
[2] J.I. Pascual et al., Phys. Rev. Lett. 93, 196802 (2004).
[3] T. Hirahara et al., Phys. Rev. Lett. 97, 146803 (2006).
[4] M. Bode et al., Nature 447, 190 (2007).
[5] M. Heide et al., submitted to Phys. Rev. B.
Time: Tuesday 10:15–11:00 Location: HE 101
Invited Talk O 22.1 (552) Tue 10:15 HE 101
Adsorption Processes on SiC Surfaces: First-Principles Theory
— •Johannes Pollmann — Institut für Festkörpertheorie, Universität
Münster
The surface atomic structure, the topology of surface dangling bonds,
and the high directionality of adsorbate-substrate interactions play a
crucial role in the chemical activity of semiconductor surfaces. This
has been well appreciated in many adsorption studies using silicon
surfaces as prototype substrates. In this respect, the ionic compound
semiconductor SiC offers particularly interesting new degrees of freedom
because of its comparatively small lattice constant and its rich
variety of surface reconstructions which give rise to very amazing and
unusual adsorption processes in certain cases, as observed in exper-
iment. For example, atomic hydrogen adsorbed on the fairly open
SiC(001)-(3×2) surface does not lead to surface passivation but induces
surface metallization. Likewise, molecular hydrogen readily adsorbes
at room temperature dissociatively on the SiC(001)-c(4×2) surface
while it does not react with SiC(001)-(3×2) although both surfaces
are characterized by similar surface dimers. Interestingly, adsorption
of hydrocarbons on SiC(001)-(3×2) versus Si(001)-(2×1) shows salient
substrate-related differences, as well. In this talk adsorption of atomic
and molecular hydrogen, acetylene, ethylene and benzene, as well as
silicon-oxynitride adlayers on SiC surfaces will be discussed. Scrutinizing
a number of reaction scenarios within first-principles theory allows
us to identify the physical origin and nature of the peculiar adsorption
behaviour of SiC surfaces.
O 23: SYNF: Ferroic Materials and Novel Functionalities I
(FV: MA+O+MM+DF+DS+HL+TT)
Time: Tuesday 10:30–13:15 Location: A 151
See SYNF for details about the program.
O 24: SYSA: Tayloring Organic Interfaces: Molecular Structures and Applications I
(Invited Speaker: Fernando Flores; FV: DS+CPP+HL+O)
Time: Tuesday 9:30–10:45 Location: H 0105
Invited talk and contributions
O 25: SYSA: Tayloring Organic Interfaces: Molecular Structures and Applications II (Invited
Speakers: Norbert Koch, Antoine Kahn; FV: DS+CPP+HL+O)

Tuesday
Time: Tuesday 10:45–13:00 Location: H 0105
Invited talks and contributions
O 26: Methods: Electronic Structure Theory
Time: Tuesday 11:15–12:30 Location: MA 042
O 26.1 (301) Tue 11:15 MA 042
Improved description of correlation energies within an abinitio
framework — •Judith Harl and Georg Kresse — Vienna
University, Sensengasse 8/12, 1090 Vienna, Austria
A well known shortcoming of the standard exchange-correlation functionals
(LDA and GGA) used in density functional theory is that they
do not include long-range correlation and therefore fail to describe
Van-der-Waals bonded systems accurately.
The adiabatic connection fluctuation-dissipation theorem (ACFDT)
[1,2] provides an exact expression for the correlation energy depending
on the system’s response function when switching from the Kohn-Sham
to the full many-body Hamiltonian. ACFDT calculations for real systems,
mostly within the random phase approximation (RPA), have
become feasible recently (e.g. [3,4]).
In this work, we apply the ACFDT within the RPA to rare-gas
solids and to a set of insulators and metals. Lattice constants and
bulk moduli are improved compared to gradient corrected functionals
with relative errors reduced by roughly a factor 2.
[1] D.C.Langreth, J.P.Perdew, Solid State Commun. 17, 1425
(1975).
[2] O.Gunnarsson, B.I.Lundqvist, Phys. Rev. B 13, 4274 (1976).
[3] F.Furche, Phys. Rev B 64, 195120 (2001).
[4] A.Marini et al., Phys. Rev. Lett. 96, 136404 (2006).
O 26.2 (316) Tue 11:30 MA 042
Long-range electronic correlation quantified in rare
gas/metal adsorption: Xe/Cu(111). — •Mariana Rossi, Xinguo
Ren, Andrea Sanfilippo, Paula Havu, Volker Blum, and
Matthias Scheffler — Fritz-Haber-Institut, Berlin, Germany
The adsorption of rare gases on metal surfaces should be a classic example
of physisorption, but the underlying electronic binding mechanism
remains under debate. Here, we revisit Xe/Cu(111), where empirical
potentials predict binding, but the wrong adsorption site (fcc hollow
instead of top); in constrast, standard DFT finds the right binding site,
but either overbinds significantly (LDA) or hardly binds at all (GGA).
To create a systematic picture of binding in this system, we apply the
recent local xc correction scheme of Hu, Reuter and Scheffler [1] and
a hierarchy of electronic structure approaches of increasing sophistication:
LDA, GGA (PBE and BLYP), hybrid functionals, semiempirical
C6 corrections for Van der Waals, and MP2, all carried out within
the same computational framework, the all-electron code FHI-aims
[2]. The inclusion of MP2 is critical to recover the correct Xe binding
distance (d=3.6 ˚A). [1]Q. Hu, K. Reuter, and M. Scheffler, Phys. Rev.
Lett. 98, 176103 (2007); 99, 169903(E) (2007). [2] V. Blum et al.,
The FHI-aims project, www.fhi-berlin.mpg.de/aims/
O 26.3 (155) Tue 11:45 MA 042
On the accuracy of DFT exchange-correlation functionals for
H bonds in small water clusters: Benchmarks approaching
the complete basis set limit — •Biswajit Santra 1 , Angelos
Michaelides 1,2 , and Matthias Scheffler 1 — 1 Fritz-Haber-Institut
der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany.
— 2 London Centre for Nanotechnology and Department of Chemistry,
University College London, London WC1E 6BT, UK.
The ability of DFT exchange-correlation functionals to describe H
bonds between H2O molecules remains an important open question.
Here, we address this issue through a series of studies of small gas
phase water clusters. Using Møller-Plesset perturbation theory (MP2)
as our reference, we have assessed the abilities of 16 DFT xc functionals
to describe the energetics of the low energy isomeric structures of
water dimers, trimers, tetramers, and pentamers. Errors from basis set
incompleteness have been minimized in both the MP2 reference data
and the DFT calculations, thus, enabling a systematic evaluation of
the true performance of the tested functionals. Among the functionals
considered, the hybrid X3LYP and PBE0 functionals are the best:
predicting H bond strengths within 10 meV (∼0.3 kcal/mol) of MP2.
Of the nonhybrid GGA functionals, mPWLYP and PBE1W perform
the best. The popular BLYP and B3LYP functionals consistently underbind.
PBE, PW91, and TPSS display rather variable performance
with cluster size, leading us to conclude that results from dimers and
trimers alone are insufficient to determine the general abilities of a
given functional.
O 26.4 (225) Tue 12:00 MA 042
Constrained adiabatic DFT modeling nonadiabatic behavior -
simple and effective — •Matthias Timmer and Peter Kratzer —
Fachbereich Physik, Universität Duisburg-Essen, Lotharstr. 1, 47048
Duisburg, Germany
Non-adiabatic effects, in our case the creation of electron-hole pairs,
become more and more accessible in theoretical calculations, and they
have long been observed experimentally in, e.g., the detection of chemicurrents.
We present a new method to calculate the excitation spectrum
of electron-hole pairs in adsorption on metals for adatoms which
have an initial spin magnetic moment. To accomplish this we use a
mapping of the system onto a bosonic Hamiltonian. Starting from
adiabatic DFT calculations we calculate the classical trajectory of the
adatom. This trajectory can be used to calculate the nonadiabatic
occupations of the adiabatic Kohn-Sham states. Nonadiabaticity is
originating from spin relaxation effects. In order to describe this relaxation,
the spin degree of freedom is treated explicitly within the
density matrix formalism. A projection on the adsorbate orbitals is
then used to change the occupation of the adiabatic KS states in a
way that guarantees the obtained spin polarization localized at the
adatom. By treating the spin up and spin down case separately, and
by using the density of states, we get separate energy spectra for the
spin up and spin down case, and for electrons and holes, which is novel
for these computationally fast adiabatic DFT calculations. As an example,
we apply our method to the system H on Al(111). We compare
our results to previous TDDFT and model calculations.
O 26.5 (157) Tue 12:15 MA 042
Electronic properties of PbTe/CdTe(100) interfaces —
•Roman Leitsmann and Friedhelm Bechstedt — Institut für
Festkörpertheorie und -optik, Friedrich-Schiller Universität Jena
Previously studied semiconductor interfaces often consist of chemically
different materials with the same crystallographic structure. Usually
they are influenced by lattice-constant mismatch and the polarity of
adjacent surfaces. Here we investigate the electronic structure of interfaces
between highly ionic crystals with different crystal structure
but nearly identical cubic lattice constants by first principles total energy
calculations in the repeated slab approximation. The interfaces
are strongly influenced by electrostatic fields. As a prototypical example
we investigate the structural well defined polar PbTe/CdTe(100)
interfaces [1,2,3].
We develop four different different slab models to calculate the band
offsets and projected interface band-structures. These models are used
to investigate the electronic properties. The occurrence of interface
states is studied versus the different approaches. Moreover we discuss
the reliability of the four approaches for the description of different
experimental situations.
[1] W. Heiss et al., APL 88, 192109 (2006) [2] R. Leitsmann et al.,
New J. Phys. 8, 317 (2006) [3] R. Leitsmann et al., PRB 74, 085309
(2006)

O 27: Time-Resolved Spectroscopy II
Tuesday
Time: Tuesday 11:15–12:45 Location: MA 043
O 27.1 (639) Tue 11:15 MA 043
Unoccupied band-structure and hot electron lifetimes in Pb
and Bi quantum-wells — Andreas Ruffing 1 , •Stefan Mathias 1 ,
Martin Wiesenmayer 2 , Luis Miaja-Avila 3 , Frederik Deicke 1 ,
Henry Kapteyn 3 , Margaret Murnane 3 , and Michael Bauer 2
— 1 Department of Physics, TU Kaiserslautern, 67663 Kaiserslautern
— 2 Institut für Experimentelle und Angewandte Physik, Christian-
Albrechts-Universität zu Kiel, Germany — 3 JILA, University of Colorado,
Colorado 80309-0440, USA
The two-dimensional electronic structure of metallic quantum wells
(QW) enable an unique access to peculiarities of solid state band structures
by means of momentum resolved photoelectron spectroscopy,
such as avoided crossings, band gaps or modifications due to interactions
at interfaces. With respect to ultrafast dynamical processes in
metals these features are highly interesting as they enable for instance
insights into the relevance of band-structure details for the decay of
hot electrons. Momentum and time-resolved two-photon photoemission
(2PPE) performed with a two-dimensional electron analyzer for
parallel energy (E) and momentum (k ||) detection provide the required
sensitivity for such experiments. In this contribution we will present
and discuss first results obtained for ultrathin Pb and Bi quantum
wells grown on a Cu(111) substrate. The 2PPE experiments enable us
to directly map the unoccupied band structure of these systems and
the according momentum resolved hot electron lifetime τ(E, k ||).
O 27.2 (621) Tue 11:30 MA 043
Photoelectron microscopy of the Mott-Hubbard transition
at inhomogeneously Rb adsorbed 1T -TaS2 surfaces — •Dirk
Rahn 1 , Hans Starnberg 2 , Martin Marczynski-Bühlow 1 , Tim
Riedel 1 , Jens Buck 1 , Kai Rossnagel 1 , and Lutz Kipp 1 — 1 Institut
für Experimentelle und Angewandte Physik, Universität Kiel, D-24098
Kiel, Germany — 2 Department of Physics, Göteborg University and
Chalmers University of Technology, SE-41296 Göteborg, Sweden
Layered 1T -TaS2 is of particular interest because it shows a rich phase
diagram including various charge-density-wave phases and a first-order
metal-insulator transition at about 180K which is widely understood
as a Mott-Hubbard-type localization. Using angle-resolved photoemission,
it has been shown that a similar metal-insulator transition at the
surface of 1T -TaS2 can be induced already at room temperature by
simple adsorption of Rb [1]. To further investigate this emerging transition
we have tried to prepare sharp Rb domains at the surface of
1T -TaS2. Photoelectron microscopy measurements at beamline BL 31
at MAX-lab (Lund) and photoelectron spectroscopy measurements at
beamline BW 3 at HASYLAB (Hamburg) show that it is indeed possible
to prepare such a sharp Rb domain and that the Mott-Hubbard
transiton is taking place in the Rb adsorbed region. Photoelectron microscopy
images of the inhomogeneously Rb adsorbed surface will be
presented as well as photoelectron spectra at sites with different alkali
metal concentrations. This work is supported by the DFG Forschergruppe
FOR 353 and the European Community - Research Infrastructure
Action. [1] Rossnagel et. al. Phys. Rev. Lett. 95, 126403 (2005).
O 27.3 (252) Tue 11:45 MA 043
Spectroscopy of T aS2 through the metal-insulator transition
— •Martin Beye, Alexander Föhlisch, Urs Hasslinger, Annette
Pietzsch, and Wilfried Wurth — Institut für Experimentalphysik,
Universität Hamburg, Deutschland
Soft X-ray spectroscopies allow the analysis of the electronic structure
of matter. They are specific to different elements, to their chemical surroundings
and to individual orbitals, resolving their polarization. In
combination with the newly available pulsed soft X-ray sources, they
constitute an ideal tool to locally probe ultra-fast electron dynamics
of phase transitions.
The layered material 1T − T aS2 for example is at room temperature
in a Mott insulating phase and exhibits a transition to a metallic
state at liquid nitrogen temperatures, connected with the evolution of
a charge density wave and a slight shift in atomic positions. This is
well established around the Ta-atoms but should show effects on the
electronic structure at S-centers as well. At the synchrotron sources
MAX-lab and BESSY, we have studied the occupied and unoccupied
electronic states. We observe large differences at both atomic centers
depending on sample temperature and on polarization.
In a next step, we will drive the phase transition through excitation
with a short-pulsed optical laser and study the electron dynamics on a
femtosecond timescale at the free electron laser in Hamburg (FLASH).
We acknowledge the help of the BESSY and MAX-lab staff, in particular
Franz Hennies, the group around Kai Rossnagel (University
Kiel) who provided the samples and the GrK 1355.
O 27.4 (367) Tue 12:00 MA 043
Ultrafast laser-induced phase transitions in group-V elements
— •Nils Huntemann, Eeuwe S. Zijlstra, and Martin E. Garcia
— Theoretische Physik, Fachbereich Naturwissenschaften, Universität
Kassel, Heinrich-Plett-Str. 40, 34132 Kassel, Germany
A number of pressure-induced phase transitions exist in Arsenic, Antimony,
and Bismuth [U. Häussermann et al., J. Am. Chem. Soc.
124, 15359 (2002)]. These transitions occur in thermodynamical equilibrium.
In the last years different nonthermal, ultrafast structural
changes have been induced in solids by means of femtosecond laser
pulses [See, for example, A. Cavalleri et al., Phys. Rev. Lett. 87,
237401 (2001)]. These structural transitions take place under extreme
nonequilibrium conditions, primarily because laser light interacts very
strongly with electrons but not with ions, and secondarily because
the electrons thermalize relatively slowly with the ions (typically on
a timescale of roughly 10 ps). As a consequence, laser-driven phase
transitions are induced while the electrons are very hot, but the ions
are still cold.
Based on first-principles electronic structure calculations we explored
the possibility of inducing nonthermal structural changes in
the above-mentioned group-V elements by ultrashort laser pulses. For
this purpose, we determined the potential energy surface (electronic
free energy) as a function of the lattice parameters and atomic coordinates
for different electronic temperatures, which simulates the
ultrafast laser heating of the electrons.
O 27.5 (582) Tue 12:15 MA 043
Kinetic Approach for Laser-Induced Heating of Metals —
•Banaz Omar and Baerbel Rethfeld — Technical University of
Kaiserslautern, Department of Physics, Erwin Schroedinger Str. 46,
D-67663 Kaiserslautern, Germany.
Non-equilibrium distribution functions of electron gas and phonon gas
are calculated for metals irradiated with an ultrashort intense laser
pulse. The excitation during femtosecond irradiation and the subsequent
thermalization of the free electrons, as well as the dynamics of
phonons can be described by a kinetic equation. The microscopic collision
processes, such as absorption by inverse Bremsstrahlung, electronelectron,
and electron-phonon interaction are considered with complete
Boltzmann collision integrals. In contrast to aluminum, with a freeelectron
like conduction band considered in [1], the d-band in gold lies
within the conduction band at about 2.5 eV below the Fermi surface
of free electrons in s-band. Therefore, secondary electrons may be excited
strongly, originating also from the d-band. We apply our kinetic
approach to the case of gold by taking the electron density of states
into account, and compare with the case of excitation of aluminum.
[1] B. Rethfeld, A. Kaiser, M. Vicanek, and G. Simon, Phys. Rev.
B 65, 214303 (2002)
O 27.6 (356) Tue 12:30 MA 043
Electron Transfer & Solvation Dynamics at the NH3/Cu(111)
Interface: Determination of Tunneling Barriers — •Julia
Stähler, Michael Meyer, Uwe Bovensiepen, Daniela O. Kusmierek,
and Martin Wolf — Freie Universität Berlin, Fachbereich
Physik, Arnimallee 14, 14195 Berlin
Understanding the fundamental processes of heterogeneous electron
transfer (ET) is highly important for a variety of different fields, as
e.g. the development of nanoscale molecular electronic devices or photovoltaic
cells. Here, we investigate ET and solvation dynamics at
the interface of amorphous NH3 and Cu(111) using femtosecond timeresolved
two-photon photoelectron spectroscopy. After photoexcitation
with UV light, metal electrons are injected into the adsorbate
layer. They localize at favorable sites and are stabilized by reorientations
of the surrounding solvent molecules. Concurrently, they decay
back to the metal substrate. Two different regimes are observed for
both, electron solvation and electron back transfer: Initially, electron

decay and stabilization occur on fs-timescales. The dynamics slow
down abruptly after 250 fs leading to electron transfer and solvation
on ps-timescales. The lifetime of this second species of solvated electrons
depends exponentially on the ammonia layer thickness, showing
Tuesday
that ET is mediated by distance-dependent tunneling through an interfacial
barrier. The acquired data allows for an estimate of the temporal
evolution of this transient potential barrier, yielding profound insight
into the ET mechanisms at molecule-metal interfaces.
O 28: Symposium: Size-Selected Clusters at Surfaces II
(Invited Speakers: Steven Buratto, Stefan Vajda, Matthias Arenz)
Time: Tuesday 11:15–13:00 Location: MA 005
O 28.1 (404) Tue 11:15 MA 005
Size-selected Au and Ag nanoclusters on rutile TiO2 (110)
(1x1) surfaces probed by UHV-STM — Xiao Tong, Lauren
Benz, Steeve Chretien, Paul Kemper, Michael Bowers, Horia
Metiu, and •Steven Buratto — University of California, Santa Barbara,
CA USA
Catalysis of the oxidation of CO and small olefins by Au and Ag nanoclusters
on oxide supports is known to be strongly dependent on the
size of the cluster and its interaction with the oxide surface. In our
group we have probed this size dependence by depositing size-selected
clusters of Agn+ and Aun+ (n = 1-7) from the gas phase onto single
crystal rutile TiO2 (110) (1x1) surfaces at room temperature under
soft-landing (< 2 eV/atom) conditions. We analyze the clusters on
the surface using ultra-high vacuum scanning tunneling microscopy
(UHV-STM) and compare the resulting structures with theory. In the
case of Aun+ , Ag+ and Ag2+ clusters deposited under soft-landing
conditions we observe large, sintered clusters indicating high mobility
for these species on the surface. For Aun+ (n > 1) and Agn+ (n > 2)
clusters deposited under soft-landing conditions, however, we observe
a high density of intact clusters bound to the surface indicating that
these species have very limited mobility on the surface. We have also
shown that the sintering of Au+ soft-landed on TiO2 (110) occurs only
for a surface covered with hydroxyl groups. On a pristine surface with
an oxygen vacancy density near 10%, Au atoms remain intact on the
surface.
O 28.2 (568) Tue 11:45 MA 005
Towards the understanding of size/shape and function relationship
in catalysis of complex reactions — •Stefan Vajda 1 ,
Sungsik Lee 1 , Larry A. Curtiss 1 , Jeffrey P. Greeley 1 , Paul
C. Redfern 1 , Peter Zapol 1 , Michael J. Pellin 1 , Jeffrey W.
Elam 1 , Byeongdu Lee 1 , Sönke Seifert 1 , Randall E. Winans 1 ,
Yu Lei 1,2 , Randall J. Meyer 2 , Arantxa Fraile-Rodríguez 3 , Luis
M. Molina 4 , Maria J. López 4 , Julio M. Alonso 4 , Kristian Sell 5 ,
Ingo Barke 5 , Armin Kleibert 5 , Viola von Oeynhausen 5 , and
Karl-Heinz Meiwes-Broer 5 — 1 Argonne National Laboratory, Argonne,
USA — 2 University of Illinois at Chicago, USA — 3 Swiss Light
Source, Paul Scherrer Institut, Villigen, Switzerland — 4 Universidad
de Valladolid, Valladolid, Spain — 5 Institut für Physik, Universität
Rostock, Rostock, Germany
This contribution focuses on partial oxidation reactions catalyzed
by sub-nanometer to several ten nanometer large size-selected clusters.
Catalytic performance and changes in cluster shape are studied
under realistic reaction conditions, allowing to elucidate the
size/shape/composition and function relationship in catalysis. Here we
show 1) gold and silver clusters which promote with high selectivity the
direct oxidation of propylene to propylene oxide, and 2) sub-nanometer
platinum clusters catalyzing the oxidative dehydrogenation of propane
with high selectivity and activity. Theoretical calculations and modeling
provide a detailed insight of the catalytic process. The findings
stress the important role of small clusters in promoting reactions with
high selectivity and activity.
O 28.3 (314) Tue 12:15 MA 005
Cluster Catalysis: Size dependent reactivity induced by reverse
spill-over — •Matthias Arenz, Martin Röttgen, Christopher
Harding, Sebastian Kunz, Vahideh Habibour, Viktoria
Teslenko, and Ulrich Heiz — Technische Universität München,
München, Germany
In heterogeneous, the routes whereby molecules come and go from active
sites can substantially affect their reactivity. In the presented
work, the CO oxidation rate on size selected Pd clusters supported on
thin MgO films is investigated in pulsed molecular beam experiments.
By varying the cluster coverage independent of the cluster size, we
were able to change the ratio of direct and diffusion flux (reverse spill
over) of CO onto the cluster catalyst and thus probe the influence of
reverse spill-over on the reaction rate for different cluster sizes (Pd8
and Pd30). The experimental results show, that the change in reaction
rate as a function of cluster coverage is different for Pd8 and
Pd30. In order to explain these findings, the CO flux onto the clusters
is modeled utilizing the collection zone model for the given experimental
conditions. The results indicate that for small clusters (Pd8),
the reaction probability of an impinging CO molecule is independent
of whether it is supplied by diffusion or direct flux. By contrast, for
larger clusters (Pd30) a reduced reaction probability is found for CO
supplied by reverse spill over compared to CO supplied by direct flux.
O 28.4 (134) Tue 12:45 MA 005
Deuteration of mass-selected Cn clusters deposited on HOPG
— •Artur Böttcher, Daniel Löffler, Patrick Weis, Manfred
Kappes, Angela Bihlmeier, and Wilhelm Klopper — Institut
für Physikalische Chemie, Universität Karlsruhe (TH), D-76128 Karlsruhe,
Germany
We studied the size-selectivity in the deuteration of carbon clusters,
Cn (n=48-70) deposited on HOPG. In contrast to the weakly stabilized
molecular solids of classical fullerenes, the non-IPR fullerenes
form strongly bound [Cn]m oligomers stabilized by covalent bonds
between the non-IPR sites in Cn cages. The deuteration procedure
has been performed under ultra high vacuum conditions by exposing
the deposited layers to atomic deuterium. The adoption of deuterium
atoms raises the inter-cage cohesion of the C60 and C70 films what
has been attributed to the formation of D-induced polymeric chains
likely comprising covalently interlinked cages. Deuteration of non-IPR
films results in considerable weakening of the intercage bonds as revealed
by lower sublimation enthalpies found for all CnDx films [1].
DFT calculations indicate a considerable reduction of the inter-cage
bonds accompanying the progressing D-adoption. This process ends
with D-induced scission of oligomers and formation of weakly interacting
CnDx cages. The contrary reaction trends are triggered by the
presence of the non-IPR sites which act as decisive reaction centers.
The size of the Cn cages appears of minor relevance for the reaction
path.
[1] D. Löffler et al. J. Chem. Phys. Smalley Issue(2007)
O 29: Symposium: Surface Spectroscopy on Kondo Systems I (Invited Speakers: Wolf-Dieter
Schneider, Fakher Assaad, Serguei Molodtsov)
Time: Tuesday 11:15–13:30 Location: HE 101
O 29.1 (51) Tue 11:15 HE 101
From single magnetic adatoms to two-dimensional Kondo lattices:
A local view — •Wolf-Dieter Schneider — EPFL, Institut
de Physique des Nanostructures, CH-1015 Lausanne, Switzerland
The unique ability of scanning tunneling microscopy and spectroscopy
to address an individual atom on a surface has contributed consid-

erably to our understanding of fundamental excitations and interactions
at the atomic level. Here we present a few case studies from
our laboratory. These include the detection of the Kondo effect at
magnetic adatoms [1], the observation of very-low-energy adsorbate
vibrations [2] revealing a surprising similarity with the spectroscopic
signatures of Kondo scattering and spin-flip excitations, the manifestation
of local disorder within a Ce-adatom superlattice on Ag(111) in
its two-dimensional (2D) electronic bandstructure, and the 2D melting
via a hexatic phase of a Ce-adatom superlattice on Cu(111). In
such superlattices, depending on the relative strength of Kondo scattering
versus RKKY interactions, ferromagnetic or antiferromagnetic
adatom pairs at different separations may be formed leading to exciting
magnetic properties of such artificial nanostructures. These results
provide illustrative examples in the emerging fields of nanoscience and
nanotechnology for the characterisation and the controlled engineering
of physical properties at the single atom level.
[1] J. Li, W.-D. Schneider, R. Berndt, and B. Delley, Phys. Rev.
Lett. 80, 2893 (1998).
[2] M. Pivetta, M. Ternes, F. Patthey, and W.-D. Schneider, Phys.
Rev. Lett. 99, 126104 (2007).
O 29.2 (721) Tue 11:45 HE 101
The Kondo Lattice in two dimensions: numerical studies of
the Fermi surface. — •Fakher F. Assaad, Kevin S.D. Beach, and
Lee C. Martin — Institut für Theoretische Physik und Astrophysik,
Universität Würzburg, Am Hubland, D-97074 Würzburg, Germany
The Kondo lattice model on a square lattice is the simplest model capturing
the physics of heavy fermion materials. Below the coherence
temperature and in the paramagnetic phase, it describes the heavy
fermion metallic state which is characterized by a large Fermi surface
with Luttinger volume incorporating both the conduction electrons
and the localized moments. In this talk we will review recent results
aimed at understanding the evolution and breakdown of this Fermi
surface as function of temperature, magnetic field as well as across a
magnetic order-disorder transition. Our results stem from large scale
Quantum Monte Carlo simulations in the framework of the Dynamical
Cluster Approximation.
O 29.3 (111) Tue 12:15 HE 101
ARPES Study of Hybridization Phenomena in Heavy-
Fermion Lanthanide Compounds — •Serguei Molodtsov —
Dresden University of Technology, Germany
High-resolution angle-resolved photoemission spectra of various heavyfermion
Ce and Yb systems reveal strong momentum (k) dependent
splittings of the 4f signals around the expected intersection points of
the 4f final states with valence bands in the Brillouin zone [1]. The obtained
dispersion of the interacting 4f states both in the region of the
Fermi level and at higher binding energies is explained in terms of a
simplified periodic Anderson model by a k dependence of the electron
hopping matrix element disregarding clearly interpretation in terms
of the single-impurity Anderson model for single-crystalline samples.
The obtained data show that the heavy-fermion behavior depends crucially
on properties of the electronic bands not necessarily located in
the immediate vicinity of the Fermi energy.
[1]. S. Danzenbaecher et al. Phys. Rev. B 72 (2005) 033104; Phys.
Rev. Lett. 96 (2006) 106402; D.V. Vyalikh et al. Phys. Rev. Lett. 96
(2006) 026404; Phys. Rev. Lett. (2007), accepted.
O 29.4 (126) Tue 12:45 HE 101
k- and spin-dependent hybridization effects in Ce monolayer
— •Yury Dedkov 1 , Denis Vyalikh 1 , Mikhail Fonin 2 , Yury
Kucherenko 3 , Serguei Molodtsov 1 , and Clemens Laubschat 1 —
1 Institut für Festkörperphysik, TU Dresden, Germany — 2 Fachbereich
O 30: Phenomena at Semiconductor Surfaces
Tuesday
Physik, Universität Konstanz, Germany — 3 Institute for Metal
Physics, Kiev, Ukraine
Here we present applications of the periodic Anderson model (PAM)
to consideration of wave vector (k)- and spin-dependent hybridization
effects in Ce metal. It was shown that k-dependent splitting of the 4f
ionization peak of Ce/W(110) are correctly described in the framework
of the PAM (Coulomb repulsion between two f electrons localized on
the same lattice site Uff → ∞). Our results show that the wave
vector is conserved upon hybridization. In case of the magnetically
ordered Ce monolayer, spin- and angle-resolved resonant photoemission
spectra reveal spin-dependent changes of the Fermi-level peak intensities
(which reflect the hybridization strength). That indicate a
spin-dependence of 4f hybridization and, thus, of 4f occupancy and
local moment. The phenomenon was also described in the framework
of PAM by 4f electron hopping into the exchange split Fe 3d derived
bands that form a spin-gap at the Fermi energy around the Γ point of
the surface Brillouin zone.
O 29.5 (327) Tue 13:00 HE 101
High-Resolution Photoemission Spectroscopy on an Ordered
Pt5Ce Surface Alloy: Kondo-Resonance, Band Structure and
Fermi Surface — •Christina Albers 1 , Markus Klein 1 , Kevin
Beach 2 , Fakher Assaad 2 , and Friedrich Reinert 1 — 1 Universität
Würzburg, Experimentelle Physik II, 97074 Würzburg — 2 Universität
Würzburg, Theoretische Physik I, 97074 Würzburg
We present a detailed investigation of the electronic structure of an ordered
Pt5Ce-film by means of angular resolved ultraviolet photoemission
spectroscopy (ARUPS). An in situ prepared, ordered Pt5Ce surface
alloy, consisting of alternating layers of Pt2Ce and kagome-nets of
Pt, forms stable and reproduceable films on the Pt substrate. We investigated
in detail the 4f Kondo resonance, other renormalization effects
on the k-dependent band structure, and the temperature-dependence
of the spectral features. In particular we studied the 4f-states by a
comparison of the data on Pt5Ce and Pt5La. The experimental results
will be discussed together with DMFT calculations.
O 29.6 (410) Tue 13:15 HE 101
FeSi - Kondo insulator or itinerant system? — •Dirk Menzel 1 ,
Markus Klein 2 , Damian Zur 1 , Klaus Doll 3 , Friedrich Reinert 2 ,
and Joachim Schoenes 1 — 1 Technische Universität Braunschweig, Institut
für Physik der Kondensierten Materie — 2 Universität Würzburg,
Lehrstuhl für Experimentelle Physik II — 3 Max-Planck-Institut für
Festkörperforschung, Stuttgart
The claim that FeSi is the first Kondo insulator containing no felectrons
[1] resulted in an intense discussion about the nature of this
material. However, recent theoretical and experimental investigations
have generated more and more arguments for an interpretation of apparently
uncommon electronic properties in an itinerant band model.
We have performed angle-resolved high-resolution photoemission spectroscopy
on FeSi single crystals using a He spectral lamp as well as
synchrotron radiation. The photoemission spectra agree qualitatively
with the bandstructure derived from single-particle GGA calculations.
However, we could also observe strong renormalization effects near
the valence band maximum. A quantitative consistency can be obtained
when an interaction among the Fe-d-electrons is added to the
calculations in the form of self energy corrections. The resulting spectral
function is in surprisingly good accordance to the experimental
data. These results support the interpretation of FeSi as an itinerant
material with d-correlations without the necessity of including Kondo
interactions.
[1] G. Aeppli and Z. Fisk, Comments Cond. Mat. Phys. 16, 155
(1992).
Time: Tuesday 12:00–14:00 Location: MA 041
O 30.1 (220) Tue 12:00 MA 041
Vibrational relaxation of CO stretching excitation on Si(100):
DFT study — •Sung Sakong and Peter Kratzer — Fachbereich
Physik, Universität Duisburg-Essen, Duisburg, Germany
On semiconductor and insulator surfaces, the vibrational lifetime of
adsorbates can be very long and the vibrational energy is predomi-
nantly dissipated to phonons, because electron-hole pair excitations
are not allowed. Recently, the lifetime of the CO stretch vibration on
Si(100) has been measured to be 2.3 nano seconds (Laß et al., J. Chem.
Phys. 123 051102 (2005)).
We have performed density functional theory calculations within
the framework of the generalized gradient approximation for the energy
dissipation of the CO vibrational mode on the Si(100) surface. In

this scheme, the vibrational relaxation is controlled by the anharmonic
coupling between vibrational modes and the interaction between vibrations
and phonons. In DFT, vibrational excitations of the adsorbate
are accurately described by the multi-dimensional potential energy surface
which includes anharmonic coupling between vibrations. And the
phonon properties of the underlying Si substrate are calculated with
the force field method to treat a large slab. From this information,
the coupling between anharmonic vibrations and the phonon continuum
is calculated within perturbation theory, thus the transition rate
is derived by Fermi’s Golden Rule. The calculated lifetime is in qualitative
agreement with the experiments and the suggested microscopic
decay channels of the stretching mode of C-O into lateral shift/bending
quanta and a phonon satisfy energy conservation.
O 30.2 (490) Tue 12:15 MA 041
Cyclopentene (C5H8) on InP(001)(2x4): adsorption structure
— •R. Passmann 1,2 , P. Favero 3 , T. Bruhn 1,2 , W. Braun 4 ,
W. G. Schmidt 5 , M. Kneissl 1 , W. Richter 6 , N. Esser 1,2 , and P.
Vogt 1 — 1 TU Berlin, Institut für Festkörperphysik, Hardenbergstr.
36, 10623 Berlin, Germany — 2 ISAS - Institute for Analytical Sciences,
Department Berlin, Albert-Einstein-Str. 9, 12489 Berlin, Germany
— 3 Instituto de Física da Universidade de Brasília, Brazil —
4 BESSY GmbH, Albert-Einstein-Str. 15, 12489 Berlin, Germany —
5 Universität Paderborn, Warburger Str. 100, 33098 Paderborn, Germany
— 6 Universita Tor Vergata, Via della Ricerca Scientifica 1, 00133
Roma, Italy
In this study we report on the modification of the InP(001)(2x4) surface
upon C5H8 exposure, observed by reflectance anisotropy spectroscopy
(RAS), synchrotron based PES (SXPS) and LEED. The samples
were prepared in ultra high vacuum and the reconstruction formation
was controlled by LEED and RAS. The characteristic features at
1.8 eV in the RAS spectra related to the InP(2x4) surface is reduced
during the deposition of the molecules and shifted towards higher photon
energies. SXPS measurements of the C1s, In4d and P2p core level
confirm a covalent bonding of the C5H8 molecules to the top In-P
mixed dimer. The molecules can be desorbed at 400 ◦ C and the (2x4)
reconstruction can be restored. The comparison to DFT total energy
calculations supports an interaction between C5H8 and the top-layer
dangling bonds. From these results a structural model for the absorption
of C5H8 on the InP(2x4) surface is proposed.
O 30.3 (499) Tue 12:30 MA 041
Adsorption of small organic ring molecules on GaAs(001)
c(4x4) - Structural and electronic properties — •T. Bruhn 1,2 ,
R. Passmann 1,2 , C. Friedrich 1 , G. Gavrila 3 , T.A. Nilsen 5 , W.
Braun 4 , D.R.T. Zahn 3 , B.O. Fimland 5 , W. Richter 6 , M. Kneissl 1 ,
N. Esser 1,2 , and P. Vogt 1 — 1 TU Berlin, Institut für Festkörperphysik,
Hardenbergstr.36, 10623 Berlin, Germany — 2 ISAS Berlin,
Albert-Einstein-Str.9, 12489 Berlin, Germany — 3 TU Chemnitz, Institut
für Physik, 09107 Chemnitz, Germany — 4 BESSY GmbH, Albert-
Einstein-Str.15, 12489 Berlin, Germany — 5 NUST, NO-7491 Trondheim,
Norway — 6 Universita Tor Vergata, Via della Ricerca Scientifica
1, 00133 Roma, Italy
For a selective implementation of functional organic units in semiconductor
devices, a detailed understanding of the electronic and structural
properties of the interface is indispensable. In a first step, we
have investigated the influence of the adsorption of small ring molecules
(Cyclopentene (C5H8) and 1,4-Cyclohexadiene (C6H8)) on the GaAs
c(4 × 4) surface. The samples were prepared in UHV and investigated
with reflectance anisotropy spectroscopy (RAS), soft x-ray photoelectron
spectroscopy (SXPS) and scanning tunneling microscopy (STM).
Measurements of the C 1s, Ga 3d and As 3d core levels exhibit a covalent
bonding of the molecules to the topmost As dimers. A significant
influence on the surface band bending could be observed. Furthermore,
the results indicate that the adsorption process depends on functional
units of the adsorbed molecules. A structure model of the interface
formation is suggested for the first time.
O 30.4 (152) Tue 12:45 MA 041
Terephthalic acid (TPA) on Si(111)-7×7 and Si(111)- p 3 ×
p 3-Ag surfaces — •Takayuki Suzuki, Theresa Lutz, Giovanni
Costantini, and Klaus Kern — Max-Planck-Institut für Festkörperforschung,
Heisenbergstraße 1, D-70569 Stuttgart
We have carried out STM measurements of terephthalic acid (TPA)
deposited on Si(111)7×7 and Si(111)- p 3 × p 3-Ag surfaces. Due to a
strong molecule-substrate interaction, TPA molecules do not form any
Tuesday
ordered molecular layer but adsorb randomly on the Si(111)7×7 surface
with several binding motifs. On the contrary, the interaction of
TPA with the Si(111)- p 3 × p 3-Ag surface is much weaker allowing for
the formation of an ordered layer stabilized by intermolecular hydrogen
bonds. The TPA overlayer is characterized by a modulation of about
2nm in period along the 〈112〉 direction. This periodicity is not uniform
but appears wider in some places and narrower „ in the« others. The wide
3 0
and the narrow regions have a parallelogram and a rectangu-
„ «
−2 7
3 0
lar unit cell comprising 5 and 4 TPA molecules, respectively.
−3 6
This study demonstrates the viability of silver passivated silicon surfaces
as optimal substrates for supramolecular self-organisation.
O 30.5 (481) Tue 13:00 MA 041
Bistability of single cyclooctadiene molecules on Si(001) induced
by inelastic electron tunneling — •Christophe Nacci,
Jérôme Lagoute, Xi Liu, and Stefan Fölsch — Paul Drude Institute
for Solid-State Electronics, Hausvogteiplatz 5-7, 10117 Berlin,
Germany
The tip-induced switching of single 1,5 cyclooctadiene molecules
(COD) on Si(001) was studied by low-temperature scanning tunneling
microscopy. COD (C8H12) is a cyclic alkene with a twisted
boat double-degenerate configuration which adsorbs in two different
structures: the so-called bridge structure and the upright structure,
with the bridge structure being the prevalent conformation [1]. Time
spectroscopy of the tunnel current with the tip positioned over the
molecule adsorbed in the bridge structure reveals fluctuations between
two levels of current reminiscent to statistical telegraph noise. This
behavior is interpreted as a reversible dynamic switching of the adsorbed
molecule between two degenerate conformations triggered by
inelastic single-electron excitation. First measurements on COD adsorbed
in the upright structure reveal a significantly different noise
response with an enhanced quantum yield and a lifted degeneracy of
the current level population probabilities.
[1] J. H. Cho et al. Phys. Rev. B 64, 241306 (2001)
O 30.6 (392) Tue 13:15 MA 041
Investigations of Ga atom wire formation on Si(112) —
•Moritz Speckmann 1 , Thomas Schmidt 1 , Jan-Ingo Flege 1,2 , and
Jens Falta 1 — 1 Institute of Solid State Physics, University of Bremen,
28334 Bremen — 2 National Synchrotron Light Source, Brookhaven
National Laboratory, Upton, New York 11973, USA
High index surfaces are of strong interest in today’s research because
they are supposed to be a candidate for self-assembling systems, e. g.
nano wires. In this work the adsorption of Ga on Si(112) has been
investigated with different surface sensitive techniques. The stepped
silicon surface consists of (111)- and (337)-facets. Because of the lower
surface energy at the step edges growth of metals, e.g. Ga or Al,
results in quasi-1D metal quantum wires along the direction of the
step edges.
STM and LEED images clearly reveal a Ga:Si(112)-(6 × 1)reconstruction
with Ga atom rows along the step edges in [1¯10]direction.
Using XPEEM experiments performed at NSLS,
Brookhaven and comparing with the Ga:Si(111)-( √ 3 × √ 3)reconstruction
we were able to determine the coverage of the
Ga:Si(112)-(6 × 1)-reconstruction. Our results correspond to 10 Ga
atoms per (6 × 1) unit cell and therefore confirm the model by Snijders
et al. (Phys. Rev. B, 72, 2005). Furthermore we performed x-ray
standing waves experiments at HASYLAB, Hamburg. The obtained
positions of the Ga atoms again show a strong agreement with the
proposed positions in the model.
O 30.7 (336) Tue 13:30 MA 041
Self-assembled films of Lead Phthalocyanine on GaAs(001)
surfaces — •V. Rackwitz 1 , R. Passmann 1,2 , M. Kneissl 1 , N.
Esser 1,2 , and P. Vogt 1 — 1 TU Berlin, Institute of Solide State
Physics, Hardenbergstr. 36, 10623 Berlin, Germany — 2 ISAS Berlin,
Albert-Einstein-Str. 9, 12489 Berlin, Germany
The influence of the atomic surface structure on the adsorption process
of organic molecules on semiconductor surfaces is not yet fully understood.
However, the interface arrangement of such hybrid systems is
crucialy important for applications in sensors and electronic devices.
In this work we present our results on the adsorption of the nonplanar
lead phthalocyanines (PbPc) on the three main GaAs(001)

econstructions the c(4×4), (2×4) and (4×2). The interface formation
is investigated by Reflections Anisotropy Spectroscopy (RAS),
Atomic Force Microscope (AFM) and Auger Electron Spectroscopy
(AES). The results shows that intra-molecular contributions resulting
from the PbPc dominate the RAS spectrum upon deposition on the
c(4×4) and (4×2) but not on the (2×4). The film thickness in all
three cases is approximately 20nm as determined by AFM. We interpret
the anisotropies of the PbPc layers as resulting from the inital
atomic structure of the GaAs(001) surfaces.
O 30.8 (715) Tue 13:45 MA 041
Investigation of crucial interfaces for III-V multi-junction solar
cells — •Ulf Seidel, Henning Döscher, and Thomas Hannappel
— Hahn-Meitner-Institut, Glienicker Str. 100, 14109 Berlin,
Germany
Currently high efficiency III-V multi-junction solar cells are grown epi-
Tuesday
taxially on Ge(100)-substrates, which are simultaneously utilized for
the low band gap subcell. Our concept is the replacement of Ge in
these devices by a more efficient InGaAsP/InGaAs tandem solar cells
integrated on Si(100) substrates. According structures contain many
different layers of III-V semiconductors, which were prepared in this
work via MOVPE. For the best performance of the solar cells sharp
hetero-interfaces are necessary. Here, the investigation of two interfaces
is presented in detail: (1) InGaAs/GaAsSb that is needed in the
tunnel junction of our low band gap multi-junction solar cell and (2)
Si/GaP that is needed for the epitaxy of our III-V solar cells on silicon(100)
substrates instead of InP(100). Both interfaces were characterized
in-situ during the MOVPE-growth with reflectance difference
spectroscopy (RDS) and after a contamination free transfer in ultra
high vacuum with X-ray photoelectron spectroscopy (XPS), low energy
electron diffraction (LEED) and scanning tunnelling microscopy.
Additionally AFM micrographs were recorded.
O 31: Prize Talk Bernard Barbara (Gentner-Kastler Prize)
Time: Tuesday 13:00–13:45 Location: H 0105
Quantum Tunnelling and Coherence in Magnetic Molecule and Ions
O 32: Oxides and Insulators: Clean Surfaces
Time: Tuesday 13:00–16:45 Location: MA 042
O 32.1 (110) Tue 13:00 MA 042
Structure of the rutile TiO2(011)-(2x1) surface — •Navid
Khorshidi 1 , Andreas Stierle 1 , Vedran Vonk 1 , Claus Ellinger 1 ,
Helmut Dosch 1 , Ulrike Diebold 2 , Xueqing Gong 3 , and
Annabella Selloni 3 — 1 Max-Planck-Institut für Metallforschung,
Stuttgart, Germany — 2 Tulane University, New Orleans, USA —
3 Princeton University, Princeton, USA
TiO2 has various applications in technology and is one of the most investigated
metal oxides. It is used in solar cells and its photocatalytic
activity makes an understanding of the structure of diverse surface
orientations desirable. Although there are many studies on TiO2 surfaces,
the (011) surface has been rarely investigated. First principal
DFT calculations predict the (011)-(1x1) face to have the third lowest
energy and in a Wulff Construction a large part of the surface is
(011) oriented. TiO2 nano particles exhibit preferentially (011) oriented
facets. Therefore a structure model of this surface is required to
understand the photocatalytic processes on an atomic scale.
We have investigated the TiO2(011)-(2x1) surface using Surface X-
Ray Diffraction (SXRD), Scanning Tunnelling Microscopy (STM) and
Low Energy Electron Diffraction (LEED). From our data we are able
to derive a novel model for the (011) surface in combination with DFT
calculations. The new model has a much lower surface energy than
the one suggested previously and fits the X-Ray data very well.
O 32.2 (305) Tue 13:15 MA 042
Structure determination of clean V2O3(0001) and TiO2(110)
surfaces — •Werner Unterberger 1 , Emily A. Kröger 1 , Tsenolo
J. Lerotholi 2 , Francesco Allegretti 2 , David I. Sayago 1 ,
Matthew Knight 2 , and Phillip Woodruff 1,2 — 1 Fritz-Haber-
Institute — 2 Physics Department, University of Warwick
Scanned-energy mode photoelectron diffraction (PhD) is a wellestablished
method to determine quantitatively the local structure of
adsorbates at surfaces. Here we describe its application to the clean
surfaces of TiO2(110) and thin epitaxial films of V2O3 on Pd(111).
For V2O3(0001) key questions are termination and relaxation of
the clean surface; current understanding is based only on theoretical
calculations and STM imaging. While the PhD technique is more
naturally suited to studies of adsorbate structures, here we report its
application to the clean surfaces of V2O3 and TiO2. The TiO2(110)
surface is in principle well-known, and so provides a valuable test of
the methodology, although the sign and magnitude of the relaxation
of the bridging O atoms has been the subject of recent controversy.
The PhD analysis for this surface yields relaxation parameter values
in good agreement with the most recent results giving some confidence
in the method. For the V2O3(0001) surface the results clearly favour
the ”half-metal”termination with a strongly relaxed outermost layer,
as found in published theoretical total energy calculations. However,
the PhD results prove inconclusive regarding the presence or absence
of surface vanadyl (V=O) species favoured by theory.
O 32.3 (473) Tue 13:30 MA 042
Direct Observation of d 2 L 2 Charge Transfer States in
TiO2 thin films by Resonant Photoelectron Spectroscopy
— •Sebastian Müller and Dieter Schmeisser — Brandenburgische
Technische Universität Cottbus, Angewandte Physik - Sensorik,
Konrad-Wachsmann-Allee 17, 03046 Cottbus, Germany
We investigate the electronic structure of TiO2 thin films by SR-
PES, NEXAFS and ResPES. The films are prepared in a combined
in-situ/ex-situ process that leads to stoichiometric thin films (≈ 10
nm) in Rutile structure. We focus on ResPES at the Ti 2p edge.
When the photon energy is close to the Ti 2p absorption edge we observe
additional features about 13 eV below the valence band main
features. These features show clear spectator auger decay at the resonance
leading to d 0 final state. From this, we deduce the existence
of the d 2 L 2 initial charge transfer state as this is the only possible
channel that enables the corresponding spectator auger decay. These
features have the same origin as the satellite structures observed in
core level spectra, esp. 2p and 3p.
O 32.4 (41) Tue 13:45 MA 042
Tensor LEED study of the surface relaxation and lattice
dynamics of RbI(100) and RbBr(100) — •Stephan Härtel,
Jochen Vogt, and Helmut Weiss — Chemisches Institut der Ottovon-Guericke-Universität
Magdeburg, Universitätsplatz 2, D-39106
Magdeburg
During the last decade the surfaces of several alkali halides were investigated
by LEED and other experimental techniques. In good agreement
with theoretical predictions for many compounds a rumpling as
well as a contraction of the first interlayer distance was found. Up
to now no LEED data of the rubidium halides were available. In the
present work RbI(100) and RbBr(100) were investigated by means of
LEED in an energy range from 30 to 220 eV. The recorded I(E) data
were analyzed using the tensor LEED approach. RbI(100) exhibits a
slight rumpling where the Rb + are shifted inward by 0,07±0,03 ˚A and
the I − outward by 0,02±0,01 ˚A. There is no significant contraction of
the interlayer distance. In contrast to theoretical calculations [1] the
lattice amplitudes of the ions of the two topmost layers are not enlarged
significantly compared to the bulk values. For RbBr(100) also
a rumpling was observed which is however smaller than that of RbI.
The first interlayer distance is reduced by about 1.5%. Different from
RbI the lattice amplitudes in the two topmost layers are enlarged by
a factor of 1.3 for Rb + and 1.25 for Br − .

[1] de Wette, F.W. et al.: New surface mode on the (001) surfaces
of RbBr and RbI, Physical Review B, 35, 5 (1987)
O 32.5 (167) Tue 14:00 MA 042
Lattice Dynamics of Cu2O: Bulk and (110) Surface — •Klaus-
Peter Bohnen 1 , Rolf Heid 1 , Aloysius Soon 2 , and Catherine
Stampfl 2 — 1 Forschungszentrum Karlsruhe, Institut für Festkörperphysik
— 2 School of Physics, The University of Sydney
A number of theoretical studies have been carried out in the past to
investigate the stability of various surface oxides for the O/Cu system
however despite the fact that catalytic processes usually proceed at
elevated temperatures stability at finite temperatures has never been
studied for these systems. Modern ab-initio methods however allow
for the determination of the lattice dynamics and the phononic contribution
to the free energy. Using density functional perturbation
theory we have studied the lattice dynamics of Cu2O-bulk as well as
Cu2O(110). In calculating the free energy as function of lattice constant
we obtained for the bulk a negative thermal expansion up to
roughly 300 K in excellent agreement with experiments. This is due
to anomalous mode Grüneisen parameters for vibrational modes in
the low energy regime. Due to the anomalous behavior of the mode
Grüneisen parameter the bulk system is highly unstable against variations
of the lattice constant by more than 2%. To investigate the
stability of the O/Cu surfaces we have investigated the lattice dynamics
of Cu2O(110) as a prototype. Despite a large number of low lying
modes no instability has been found. These calculations allow also for
the O/Cu system for the first time for a realistic estimation of the
surface free energy which is important for the determination of surface
thermodynamic properties.
O 32.6 (708) Tue 14:15 MA 042
Electronic structure and thermodynamic stability of cubic
LaxSr1−xMnO3 (001) surfaces: First-principles calculations
by means of hybrid density-functional theory — •Sergejs
Piskunovs 1 , Eckhard Spohr 1 , and Timo Jacob 2 — 1 Lehrstuhl fuer
Theoretische Chemie, Universitaet Duisburg-Essen, Campus Essen,
S05 V06 E15, Universitaetsstr. 5, D-45141 Essen, Germany — 2 Fritz-
Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195
Berlin-Dahlem, Germany
Surface properties of LaxSr1−xMnO3 (LSM) are of high scientific and
technological interest due to potential application of these materials in
magnetoresistive devices, spintronics, and high-temperature fuel cells.
Using the hybrid exchange-correlation functional within density functional
theory, we calculated the electronic structure for a wide range of
cubic LSM(001) surfaces at low doping x ∼ 1/8. The layered antiferromagnetic
structure is found to be the most energetically favorable for
all LSM(001) surfaces under study. Stability of the considered LSM
surfaces has been predicted by means of the atomistic thermodynamics.
Our calculations show that segregation of Sr at La(Sr)-terminated
surface does not lead to its stabilization and thus is thermodynamically
unlikely. On the other hand, MnO2-terminated LSM(001) can
be stabilized through adsorption of atomic oxygen atop of Mn sites.
O 32.7 (406) Tue 14:30 MA 042
Preparation of model single crystalline aluminium oxide
films suitable for scanning tunnelling microscopy — •Sergiy
Borodin and Michael Rohwerder — Max-Planck-Institut für Eisenforschung,
Düsseldorf, Deutschland
Self assembly of organic molecules on aluminium or aluminium alloys
is of increasing technical importance, e.g. for adhesion promotion and
corrosion protection. For the performance of the SAMs in many cases
their defect structure is of importance. However, it is difficult to obtain
detailed information about the nanoscopic defect structure, as it is difficult
to prepare suitable atomically flat samples that can be scanned
by STM.
In this work a model thin film aluminum has been prepared under
UHV conditions, whose surface is suitable for a scanning tunneling
microscopy investigation, e.g. of phosphonate self-assembly on aluminium.
This surface is stable even upon contact at high water exposures
and hence much superior to model aluminium oxide surfaces
prepared on NiAl.
O 32.8 (171) Tue 14:45 MA 042
Work function measurements with a combined AFM/STM
setup under ultrahigh vacuum conditions at 5K on thin MgO
films grown on Ag(001) — •Thomas König, Georg Hermann Simon,
Violeta Simic-Milosevic, Markus Heyde, and Hans-Joachim
Tuesday
Freund — Fritz-Haber-Institute of the Max-Planck-Society, Faradayweg
4-6, 14196 Berlin, Germany
For many years metal supported thin oxide films have been investigated
in the research field of heterogeneous catalysis. The properties
of the thin films depend strongly on both the support and the film
thickness. While thick films approach the properties of bulk material
thin films exhibit their own characteristics. It has been proposed by
Pacchioni et al. [1] that charging can occur by depositing metal atoms
on ultrathin MgO films grown on metal supports. The charging of Au
atoms on top of a thin MgO film grown on Ag(001) has been confirmed
by STM measurements done by Sterrer et al. [2]. The MgO film on
top the metal support leads to a compression of the metal electrons
which for a free metal spill over into the vacuum. The compression
results in a reduction of the surface dipole and thus to a decrease of
the work function. Here we present work function measurements on
different MgO film thicknesses grown on Ag(001). The measurements
have been done with our combined AFM/STM setup operating under
UHV conditions at 5K. The results will be discussed and compared
with theoretical calculations.
[1] L. G. Giordano et al., Phys. Rev. B 73, 045414, 2005. [2] M.
Sterrer et al., Phys. Rev. Lett. 98, 096107, 2007.
O 32.9 (514) Tue 15:00 MA 042
Stress of CoO(111) on Ir(100) — •Zhen Tian, Dirk Sander,
and Juergen Kirschner — Max-Plank Institute of Microsctructure
Physics
An important aspect of epitaxial oxide films is that the growth of (111)
oriented films with rock salt structure leads to polar surfaces, where
adjacent layers are composed of either anions or cations only. Considerable
repulsive Coulomb interaction within the oxide (111) layers are
therefore expected [1]. We measured the stress change during the formation
of CoO(111) on Ir(100) by post-oxidation of Co films [2]. Combined
structural investigations by LEED and stress measurements by
the crystal curvature technique are performed. The formation of the
CoO(111)-c(10×2) structure by post-oxidation of 2 monolayers Co induces
a compressive surface stress change of −0.5 N/m. The epitaxial
Co film prior to oxidation is under a tensile stress of +16 GPa, which
is induced by the lattice misfit between fcc-Co and Ir. The formation
of the CoO(111) film induces a tensile stress change of +2.1 N/m, as
compared to the clean Ir(100) surface. This stress change is quantitatively
ascribed to the anisotropic misfit between the c(10×2) structure
of CoO(111) and Ir(100) of +0.22 % and +4.2 % along Ir[110] and
Ir[1¯10], respectively. Our stress measurements indicate that charge
depolarization effects [3] might be operative on the CoO(111)-c(10×2)
film.
[1] C. Noguera, J. Phys.: Condens. Matter 12 (2000) R367-R410.
[2] C. Giovanardi, L. Hammer, and K. Heinz, Phys. Rev. B 74,
125429 (2006).
[3]C. Tusche, H. L. Meyerheim, and J. Kirschner, Phys. Rev. Lett.
99 (2007) 026102.
O 32.10 (140) Tue 15:15 MA 042
Metal-insulator transition on the V2O5(001) surface: Theory
and experiment — •Maria Veronica Ganduglia-Pirovano 1 ,
Remy Fortrie 1 , Joachim Sauer 1 , Ralf-Peter Blum 2 , Horst
Niehus 2 , Carsten Hucho 3 , Shamil Shaikhutdinov 4 , and Hans-
Joachim Freund 4 — 1 Inst. für Chemie, HU-Berlin — 2 Inst. für
Physik, HU-Berlin — 3 Paul-Drude-Institut Berlin — 4 FHI Berlin
Several vanadium oxides undergo a metal-to-insulator transition (MIT)
in the bulk, e.g., V2O3 at ∼150 K, VO2 at 340 K, whereas V2O5 is a
semiconductor. Experimental evidence for a thermally induced surface
insulator-metal transition (MIT) at the V2O5(001) surface at 350-400
K is presented. This surface exposes vanadyl (V=O) double rows along
the [010] direction. Using density functional theory (DFT) in combination
with statistical thermodynamics, the facile reduction along the
rows was predicted.[1] The experimentally observed MIT transition expands
preferentially in the direction of these rows. We then used the
Monte Carlo method to simulate the reduced V2O5(001) surface at a
given temperature and defect concentration. We typically find areas
with a random distribution of isolated defects and others with up to
5 sites forming [010] oriented trenches. Using calculated band gaps
for reduced V2O5 structures as obtained with DFT+U, we construct
band gaps maps which agree with those derived from scanning tunneling
spectroscopy data; only the areas with defective rows are metallic.
[1] M. V. Ganduglia-Pirovano and J. Sauer, PRB 70, 045422 (2004).
[2] R.-P. Blum, H. Niehus, C. Hucho et al., PRL. in press.

O 32.11 (426) Tue 15:30 MA 042
Structural arrangement of room temperature ionic liquids
at a hard wall — •Heiko Schröder, Markus Mezger, Sebastian
Schramm, Harald Reichert, John Okasinski, and Helmut Dosch
— Max-Planck-Institut für Metallforschung, Stuttgart
Interfacial phenomena in physical, chemical, and biological systems are
of increasing relevance in many of today’s technological applications.
In order to access solid-liquid interfaces and extract microscopic details
of their local structure with high resolution, we have employed
high energy x-ray microbeam reflectivity. Here, we discuss the analysis
and interpretation of reflectivity data recorded at the interface between
different room temperature ionic liquids (RTIL) and a hard wall
(sapphire). Real space structures could be resolved with ˚A-resolution.
Although crucial for the understanding of solvent properties, only little
is known about the structural arrangement of anions and cations
in RTILs at solid interfaces. We systematically examined different
parameters altering the interfacial properties. By choosing different
combinations of anions and cations, the ion-ion and ion-substrate interaction
as well as the size ratio of the involved ions could be varied.
By modifying the temperature, the ratio between entropy and
interfacial energy can be tuned as well, favoring a disordered liquid
or interfacial layering, respectively. This results in different structural
arrangements at the molecular level.
O 32.12 (71) Tue 15:45 MA 042
The Au(111) Electrolyte Interface: A DFT Investigation —
Sudha Venkatachalam 1 , Felice C. Simeone 1 , Dieter M. Kolb 1 ,
and •Timo Jacob 1,2 — 1 Institut für Elektrochemie, Universität Ulm,
D-89081 Ulm — 2 Fritz-Haber-Institut der MPG, D-14195 Berlin
Density functional theory calculations have been performed to derive
a detailed model of the electric double layer for Au(111) in contact
with an aqueous H2SO4 electrolyte. At potentials of E ≥ +0.8 V
vs. SCE various surface sensitive techniques found evidence for a
( √ 3 × √ 7)R19.1 ◦ (bi)sulfate structure, but the nature of coadsorbates
remains still unclear. Focusing on a sulfate adlayer, the coadsorption
of H3O + and/or H2O has been studied [1]. The calculated binding
energies show that the coadsorption of a single H3O + per sulfate (stabilizing
the adlayer by hydrogen bonds) is the most stable configuration.
In addition, the charge density distribution within the adlayer
well agrees with effective barrier heights deduced from recent distance
tunnelling spectroscopy measurements [2].
Afterwards we studied the interfacial structure that forms at negative
electrode potentials and found that water arranges near the electrode
in an ice-like hexagonal structure with hydronium ions being located
in the second water layer and non-specifically adsorbed. Again
the calculated charge density distribution shows a perfect correspondence
to distance tunnelling spectroscopy measurements.
[1] S. Venkatachalam, T. Jacob, Z. Phys. Chem., 221, 1393 (2007).
[2] S. Venkatachalam et al., Angew. Chem. Int. Ed., DOI:
10.1002/anie.200702868.
O 32.13 (418) Tue 16:00 MA 042
Surface Stress Variation as a Function of Charge for the Metal
at Metal - Electrolyte Interface — •Maxim Smetanin 1 , Raghavan
N Viswanath 1 , Dominik Kramer 1 , and Joerg Weissmueller 1,2
— 1 Institut für Nanotechnologie, Forschungszentrum Karlsruhe, Karlsruhe,
Germany — 2 Universität des Saarlandes, Saarbruecken, Germany
During the last decade, there has been considerable progress in measuring
and understanding the capillary forces on metal surfaces. The
present work revisits the question, what is the magnitude of the surface
stress charge coefficient(SSCC) for the gold in an electrolyte near
the potential of zero charge, in particular in respect to comparison to
Tuesday
numerical computation. We report in-situ measurements of f(q) for
planar gold electrodes in weakly adsorbing electrolytes, using a cantilever
bending technique with optical detection. We used 40 nm thick,
(111)-textured gold films on 100 *m thick (100)-oriented silicon wafers
in aqueous NaF and HClO4. The films were characterized in respect to
roughness (using a scanning probe microscopy) and to contamination
(using Auger microscopy). Their pzc value was determined in 7 mM
NaF using the minimum of the differential capacitance, it is ca. 0.20 V
vs. SCE. The wafer bending results testify to an essentially linear f(q)
near the pzc and electrode charging occurs mainly within the diffuse
double layer at minimum influence of specific ions adsorption. SSCC
was found to be of the order of -1.95 V for 7 mM NaF and -2.02 V for
10 mM HClO4.
O 32.14 (451) Tue 16:15 MA 042
STM of superstructures and surface transformations on
Pt(111) in a sulfuric acid electrolyte — •Björn Braunschweig
and Winfried Daum — Institut für Physik und Physikalische Technologien,
TU-Clausthal, Leibnizstrasse 4, D-38678 Clausthal-Zellerfeld
Imaging of weakly chemisorbed species on Pt surfaces with the STM
in electrochemical environments and with molecular resolution is a
challenge to the experimenter as these electrode surfaces are very susceptible
to contaminations at a level well below the sensitivity of cyclic
voltammetry. We have investigated the surface structure of Pt(111)
in a 0.1 M H2SO4 electrolyte in the potential range of sulfate adsorption.
In agreement with a previous study [1] we observe a disorderorder
transitions at a potential of 0.5 V versus the reversible hydrogen
electrode (RHE). For potentials between 0.5 and 0.8 V RHE we identified
two distinctly different sulfate superstructures: the well-known
( √ 3 × √ 7)R19.1 ◦ superstructure and a new (3x1) superstructure. We
were able to simultaneously image the sulfate and the Pt surface lattice
and to determine the registry of the sulfate anions with the substrate.
The structure in the unit cell of the (3x1) superstructure indicates the
presence of an additional molecular component, possibly hydronium
or water molecules. For potential sweeps to 0.8 V RHE and above the
ordered sulfate overlayer changes instantaneously to a more disordered
structure presumably due to adsorption of OH − ions.
[1] A.M. Funtikov, U. Linke, U. Stimming and R. Vogel; Surf.Sci.
324, L343 (1995) and J. Electroanal. Chem. 428, 147 (1997)
O 32.15 (536) Tue 16:30 MA 042
The quest for ZnO(1120) surface states – an ARPES study
— •Christian Pettenkofer and Stefan Andres — Hahn-Meitner-
Institut, Glienicker Str. 100, D-14109 Berlin
We present angle resolved photoemission data from differently prepared
ZnO(1120) single crystals and epitaxially grown thin films.
ZnO(1120) single crystal surfaces were prepared by both cleaving
in vacuum and sputtering-annealing cycles of pre-polished crystals.
ZnO(1120) thin films were grown heteroepitaxially on the r-face of sapphire
by MOMBE using diethylzinc and water as precursor molecules.
The ARUPS-spectra were recorded at the TGM7 beamline at BESSY-
II synchrotron light facility in Berlin.
The band dispersion along k � and k⊥ is discussed in accordance with
theoretical band structure calculations of the bulk electronic states
within the GGA-DFT framework. An excellent agreement between the
theoretically and experimentally determined band structure is achieved
for the upper valence bands. Furthermore the surface electronic structure
of both the epitaxially grown thin films and the single crystals
coincide very well with each other.
It is shown, that despite the very different nature of the surface
preparation methods no surface states could be observed. Therefore
different effects such as hydrogen adsorption, surface defects and lattice
relaxation will be discussed with regard to the specific surface
preparation method.
O 33: Symposium: Frontiers of Surface Sensitive Electron Microscopy I (Invited Speakers:
James Hannon, Raoul van Gastel, Thomas Schmidt)
Time: Tuesday 13:45–16:15 Location: MA 005
O 33.1 (718) Tue 13:45 MA 005
Dynamics at Strained Surfaces — •James B. Hannon — IBM
T.J. Watson Research Center, Yorktown Heights, NY 10598, USA
It has long been recognized that surface stress influences surface mor-
phology and kinetics. For example, stress can drive the spontaneous
formation of periodic patterns. Analysis of the equilibrium configuration
of stress domains can be used to determine surface thermodynamic
parameters [1]. However, in many (if not most) systems, reaching equi-

librium in experiment can be difficult. In this talk, I will describe experiments
in which surface thermodynamic parameters are determined
by analyzing the motion of stress domains far from equilibrium. In the
first example, step motion on Si(100) is used to determine the strain
pattern of a dislocation that intersects the surface [2]. In the second
example, the rapid growth of isolated 7x7 domains on Si(111) is described.
I show how certain generic features of the domain growth
(e.g., faceting) are related to the orientational dependence of the domain
boundary free energy.
Work performed with R.M. Tromp (IBM) and V.B. Shenoy (Brown
Univ).
[1] Science 295 (2002) 299; Nature Materials 3 (2004) 95.
[2] Science 313 (2006) 1266.
O 33.2 (213) Tue 14:15 MA 005
The role of long-range interactions in determining surface
morphologies: a combined LEEM/SXRD study — •Raoul
van Gastel — MESA+ Institute for Nanotechnology, University of
Twente, Enschede, The Netherlands
LEEM has been used to study long-ranged elastic interactions that occur
in metal heteroepitaxy. The elastic interactions are used to achieve
shaping and sizing of nanostructures. Pb/Cu(111) is first used as an
example to illustrate how LEEM is applied to quantify the thermodynamic
parameters that are driving the self-assembly of two phases,
a surface alloy phase and an overlayer phase. We show how those
parameters can be manipulated to induce size and shape changes of
individual domains.
For the similar Bi/Cu(111) system we have combined surface X-ray
diffraction (SXRD) and LEEM to investigate the atomic structure and
pattern formation. We investigate the structure of the different surface
phases and pinpoint the origin of the morphological changes to
the atomic structure of the different phases. The pattern formation
and the dramatic changes that occur during the transitions are analyzed
and the thermodynamic parameters that control the rich phase
behavior in this system are quantified. Finally, a brief illustration is
given of how electrostatic interactions can lead to similar effects in the
self-assembly of organic molecules on metal substrates.
O 33.3 (564) Tue 14:45 MA 005
Real Time Imaging of Surface Diffusion Fields during Island
decay — •Dirk Wall 1 , Kelly R. Roos 1,2 , Kimberly L. Roos 1 ,
Ingo Lohmar 3 , Joachim Krug 3 , Michael Horn-von Hoegen 1 ,
and Frank-J. Meyer zu Heringdorf 1 — 1 Department of Physics
and Center for Nanointegration Duisburg-Essen (CeNIDE) Universität
Duisburg-Essen, D-47057 Duisburg, Germany — 2 Department
of Physics, Bradley University, Peoria, IL 61625, USA — 3 Institut für
Theoretische Physik, Universität zu Köln, 50937 Köln, Germany
Photoemission Electron Microscopy (PEEM) is used to study the thermal
decay (650 ◦ C - 850 ◦ C) of Ag islands grown epitaxially on flat and
vicinal Silicon surfaces. During island decay, bright quasi static Agreconstructed
zones are formed around each of the islands. Micro Low
Energy Electron Diffraction (µ-LEED) reveals that the photoemission
contrast is caused by different reconstructions due to a coverage gradient
that extends outward from the edge of the islands. A simple
continuum model is presented explaining the dynamic decay of the islands.
We additionally studied the diffusion anisotropy on numerous
vicinal Silicon surfaces. The degree of diffusion anisotropy of the system
is thereby revealed by the shape of the zones. We demonstrate
that the imaging of these reconstructed ”isocoverage-zones”constitutes
a unique experimental method for directly imaging diffusion fields and
diffusion anisotropy in epitaxial systems. The general applicability of
this imaging technique is demonstrated by the decay of Indium islands
on Silicon.
O 33.4 (397) Tue 15:00 MA 005
Structural imaging of surface oxidation and oxidation catalysis
on transition metal surfaces — •Jan Ingo Flege and Peter
Sutter — Center for Functional Nanomaterials, Brookhaven National
Laboratory, Upton, NY, United States
The oxides of 4d late transition metals (TM), such as ruthenium and
rhodium, are a class of materials with desirable functional properties,
e. g., for catalysis. However, the mechanism of initial oxidation of these
materials and the nature of the structures produced by facile oxygen
uptake into sub-surface layers have been notoriously difficult to investigate
experimentally, primarily because of a lack of spatially resolving
and structurally sensitive techniques adequate for identifying the initial
nanometer-sized oxidation products under reaction conditions.
Tuesday
Here we use spatially and temporally resolved structural fingerprinting
in connection with multiple scattering calculations to characterize
surface oxidation as well as the catalytic properties of the resulting
oxygen-rich structures on Ru(0001) and Rh(111). We will show that
for both Ru and Rh the initial oxidation proceeds by initial formation
of a O-TM-O trilayer. However, while in the case of Rh the thicker
oxide structures emerge from the trilayer surface oxide, the bulk oxide
RuO2(110) islands grow independently from the trilayer, competing
for surface area. Furthermore, individual phase-specific chemical reactivities
for CO oxidation and cooperative effects during the catalytic
cycle induced by the nanoscale heterogeneity will be discussed.
O 33.5 (131) Tue 15:15 MA 005
Photoemission electron microscopy investigation of organic
thin films — •Maria Benedetta Casu 1 , Indro Biswas 1 , Mathias
Nagel 1 , Peter Nagel 2 , Stefan Schuppler 2 , and Thomas Chassé 1
— 1 Institute of Physical and Theoretical Chemistry, University of Tuebingen,
72076 Tübingen, Germany — 2 Forschungszentrum Karlsruhe,
Institut für Festkörperphysik, 76021 Karlsruhe, Germany
Organic electronic devices offer an interesting alternative to inorganic
semiconductor electronics due to low-cost deposition methods, flexible
substrates, and simple packaging. The organic molecules can be
vapour deposited under vacuum, spin coated, dip coated or printed on
the proper substrate. All these techniques are relevant for low cost
electronics and their potentiality is still enormous. To favour further
technical developments, the full understanding of electronic, structural,
and morphological properties of organic materials plays a paramount
role. Diindenoperylene (DIP) is a perylene-based molecule that shows
a very high hole mobility already in thin films, good film forming properties
and thermal stability, thus it may be considered as a promising
molecule for electronics. In this work we present the results of photoemission
electron microscopy (PEEM) investigations on DIP thin films
deposited on polycrystalline gold. We focused on the different phases
that may occur while growing a film on a given substrate. Based on
the synergy of PEEM, X-ray photoemission, and nano near-edge X-ray
absorption fine structure spectroscopy results, we propose a model for
the growth of DIP thin film deposited with a relative low deposition
rate (0.3 nm/min) on polycrystalline gold kept at room temperature.
O 33.6 (257) Tue 15:30 MA 005
Characterization of nanosize buried defect in Mo/Si multilayer
structure by EUV photoemission electron microscopy
— •jingquan lin 1 , jochen maul 2 , nils weber 3 , matthias escher 3 ,
michael merkel 3 , gerd schoenhense 2 , and ulf kleineberg 1 —
1 Ludwig Maximilians University,Garching,Germany — 2 Mainz University,
Mainz, Germany — 3 Focus-GmbH, Huenstetten-Kesselbach,
Germany
Extreme ultraviolet lithography (EUVL) is one of the leading nextgeneration
lithography candidates for the 32 nm node and below. The
fabrication of defect-free masks including their inspection is a significant
challenge for the implementation of EUVL. Here, we report experimental
results of EUVL mask blank defects and patterned absorber inspection
using photoemission electron microscopy (PEEM) technique.
With EUV-PEEM, bump-type and pit type defects that buried under
EUVL multilayer were investigated. In the case of bump-type defect
we have demonstrated its sensitivity to a phase defects with lateral
size of 35 nm and height of 4 nm. We also investigated artificial microstructures
with lateral size of several 100 nm in /on top of Mo/Si multilayer
structure. The inspection results show that EUV-PEEM has
ability of detecting an absorbing micro-structure and a closely-situated
tiny defect in the multilayer structure simultaneously. In addition, a
comparison detection of phase defect sample with different working
wavelength was conducted.
O 33.7 (248) Tue 15:45 MA 005
SMART - Spectromicroscopy with aberration correction for
high resolution surface characterization — •Th. Schmidt 1,2 , F.
Maier 1 , H. Marchetto 2 , P. Lévesque 2 , U. Groh 1 , R. Fink 3 , H.-J.
Freund 2 , E. Umbach 1,7 , and SMART- Collaboration 1,2,3,4,5,6 —
1 University of Würzburg, EP II — 2 Fritz-Haber-Institute, Berlin —
3 University of Erlangen, PC — 4 TU Darmstadt — 5 TU Clausthal —
6 Carl Zeiss NTS GmbH — 7 Forschungszentrum Karlsruhe
Combining high-brilliance synchrotron radiation with a parallel imaging
LEEM or PEEM allows a comprehensive characterization of
surfaces, adsorbates, and ultrathin films. The SMART (Spectro-
Microscope with Aberration correction for many Relevant Techniques),
installed at BESSY, aims at a lateral resolution of 2 nm and an en-

ergy resolution of 100 meV, which can only be achieved by aberration
correction and energy filtering. The actual lateral resolution of 3.1 nm
is already the best for this kind of microscope. Using different sources
(polarized x-rays, UV-light, electron gun) the SMART excels as a versatile
instrument by imaging photo-emitted (XPEEM, UV-PEEM) and
reflected electrons (LEEM) to study the morphology, chemical distribution,
electronic state, molecular orientation, atomic steps, etc. Fast
Tuesday
switching enables spectroscopy (nano-XPS, nano-NEXAFS, etc.) and
(b) diffraction from small object areas (nano-PED = photoelectron
diffraction, valence band mapping, LEED, etc). First experiments on
the growth properties of organic thin films show the potential of the instrument
and will be briefly presented. Funded by the BMBF, contract
05 KS4 WWB/4.
O 34: Metal Substrates: Adsorption of Organic/Bio Molecules II
Time: Tuesday 13:45–16:30 Location: MA 043
O 34.1 (218) Tue 13:45 MA 043
Conformations vs. Interaction energy: adsorption of flexible
(bio)molecules on inorganic substrates — •Luca M. Ghiringhelli
and Luigi Delle Site — Max-Planck-Institute for Polymer
Research, Ackermannweg 10, D 55021 Mainz, Germany
We present a first principle density functional study of phenylalanine
interacting with three different classes of surfaces, namely a purely
repulsive hard-wall, mildly interacting close packed surfaces of group
11 metals (Cu(111), Ag(111), and Au(111)), and strongly interacting
close packed surfaces of group 10 metals (Ni(111), Pd(111), and
Pt(111)). In particular, we characterize, by changing the substrate, the
passage from the statistical behavior of a flexible molecule in the presence
of the topological confinement of a hard-wall to a purely chemical
behavior where the molecule, highly deformed compared to the free
state, strongly binds to the surface and statistical conformations play
no more a role. Such a comparative study allows to characterize some
of the key aspects of the adsorption process for a prototype of flexible
amino acids on experimentally and technologically relevant metal
surfaces.
O 34.2 (428) Tue 14:00 MA 043
Spectroscopic mapping of chirality at the molecular level:
PVBA on Cu(111) — •Robin Ohmann, Lucia Vitali, and Klaus
Kern — Max-Planck-Institute for Solid State Research, Stuttgart,
Germany
Chirality is a fundamental aspect of molecular biology and biochemistry,
and is of central importance in pharmaceutics, yet directly imaging
chirality of molecules proves to be challenging. Here, we present
a combined scanning tunneling microscopy (STM) and spectroscopy
(STS) study of 4-[trans-2-(pyrid-4-yl-vinyl)] benzoic acid (PVBA) adsorbed
on a Cu(111)-surface. The molecules, deposited in ultra high
vacuum (UHV) via molecular beam epitaxy, have been measured at
low temperature (6 K). Single PVBA molecules (monomers), which
become chiral upon adsorption on the surface, dimers and linear as
well as triangular ensembles consisting of more than two molecules
are observed. The contribution of different molecular orbitals to the
local density of states has been measured for monomers and dimers
by acquiring conductance maps. This allows directly visualizing the
chirality of the adsorbed molecules. In the case of dimers we found
homochiral and heterochiral species, which show respectively pointsymmetric
and mirror-symmetric spectroscopic features. Furthermore
the interaction of monomers and dimers with the surface, as revealed
by the scattering of the standing waves, will be discussed.
O 34.3 (702) Tue 14:15 MA 043
Entropy driven stabilization of oligopyridine mono- and multilayer
phases on HOPG - a thermal desorption study —
•Michael Roos, Harry E. Hoster, and R. Jürgen Behm — Institute
of Surface Chemistry and Catalysis, Ulm University
As shown in recent STM investigations, bis(terpyridine)derivates
(BTP) form highly ordered hydrogen bonded networks on HOPG at
both the solid/liquid [1] and the solid/gas [2,3] interface. In this study,
we systematically investigate and compare the thermal desorption behavior
for varying initial coverages of BTP molecules. We can clearly
distinguish between two peaks corresponding to the mono- und multilayer
regime. Surprisingly, the activation energies for desorption are
about equal for both phases. Therefore, the different stabilities of
mono- and multilayers must be associated with large differences in the
preexponential factors, which are ν = 1·10 24 s −1 for the zero order-like
desorption from the multilayer and ν = 1·10 18 s −1 for the submonolayer
regime. In this coverage range, we find a repulsion-dominated
desorption behaviour, indicated by a pronounced down-shift of the on-
set of desorption, which is in contradiction to the expected attractive
influence of the increasing number of C-H···N bonds. The thermal
desorption results can be explained in terms of transition state theory,
keeping in mind the large moment of inertia of the BTP molecules.
1. C. Meier et al., J Phys Chem B 109, 21015 (2005).
2. H. E. Hoster et al., Langmuir 23, 11570 (2007).
3. A. Breitruck et al., Surf Sci 601, 4200 (2007).
O 34.4 (276) Tue 14:30 MA 043
Analysis of structural and electronic properties of complex
molecular phases: Tetracene on Ag(111) — •Sergey Soubatch,
Ruslan Temirov, and Stefan Tautz — Forschungszentrum Jülich,
Jülich, Germany
Formation and properties of disordered and ordered phases of tetracene
on Ag(111) surface have been studied using LT-STM. At submonolayer
coverage, tetracene forms a disordered phase due to repulsive
interactions between flat-laying molecules on the metal surface. As
the coverage rises, the tetracene phase starts to order. This process is
driven by a balancing of intermolecular repulsion, attraction between
molecules and the substrate, and competition between the positional
and rotational entropy. Two long range ordered phases can appear
at the surface. The alpha-phase represents a compact monolayer of
flat-lying molecules, those electronic properties are strongly affected
by interaction with the metal. It is revealed by significant shift of
LUMO level registered by differential conductance spectroscopy. The
beta-phase has more complex structure including interfacial layer and
additional layer and molecular chains on top. Whilst the molecules
in more planar configuration at the interface are strongly coupled to
metallic electron states of the substrate, the molecules tilted out of the
metal surface and/or separated from the metal by interfacial layer are
found to be decoupled. For such molecules strong effect of local environment
and intermolecular interaction on the energy of LUMO level
is observed. The structural model for complex tetracene beta-phase
has been proposed.
O 34.5 (361) Tue 14:45 MA 043
The Influence of Alkanespacers on the Structure of Biphenylalkanethiol
SAMs on Au(111) Surfaces — •Michel Kazempoor
and Gerhard Pirug — Institut für Bio- und Nanosysteme (IBN3) and
Center of Nanoelectronic Systems; Forschungszentrum Jülich GmbH,
D-52425 Jülich
We prepared self assembled monolayers of ω-(4’-methylbiphenyl-4-yl)alkanethiols
(BPn, n = number of CH2 units) on Au(111) surfaces and
analyzed the unit cell size by means of Low Energy Electron Diffraction
(LEED). The structural dependency on the number of CH2 units
(n = 2 - 6) in the alkane chain has been studied systematically. The
samples were prepared in a separate preparation chamber by gas phase
deposition and subsequently transferred into the UHV analysis chamber.
The formation of ordered phases after annealing for at least 12
h to temperatures between 298 K and 410 K was studied. All investigated
molecules show commensurate structures on the Au(111) surface
which are at variance to unit cells derived from repeating units seen
by STM. The odd numbered molecules (BP3 and BP5) show the same
ordered (2 √ 3 × √ 91) structure. In comparison the even numbered
BPn molecules exhibit different phases clearly distinguished by their
LEED patterns. While BP2 and BP6 show only one, but not the same
dominant structure, BP4 forms three temperature dependent phases.
Structure models will be presented based on the unit cells determined
by LEED and the molecular packing seen by STM. Different unit cell
sizes imply that the stress between the Au-S interface and the biphenyl
overlayer is compensated within the alkane spacer.
O 34.6 (680) Tue 15:00 MA 043

Why a ’decoupled’ switch doesn’t switch. Self-assembled
monolayers of Azobenzenethiol on gold — •Roland Schmidt 1 ,
Daniel Brete 1,2 , Wolfgang Freyer 1 , Cornelius Gahl 1 , and Martin
Weinelt 1,2 — 1 Max-Born-Institut, Max-Born-Straße 2A, 12489
Berlin — 2 FU-Berlin, Arnimallee 14, 14195 Berlin
We have investigated well oriented, self-assembled monolayers of alkanethiols
on gold, functionalized by the molecular switch azobenzene
(HS − (CH2)n − O − C6H4 − N2 − C6H4 − CF3, n = 3, 6, 10). Using
X-ray absorption spectroscopy the tilt angle between the backbone of
the azobenzene group and the surface normal was shown to be ∼ 15 ◦ ,
with only slight dependence on the length of the alkane chain n. The
evaluation of autoionization spectra of the N1s −1 π ∗+1 state in terms
of the core-hole-clock approach gave a charge-transfer time τCT of the
LUMO of several 10 fs. Also τCT showed no significant dependence
on the length of the alkane chain n. Hence the switches are significantly
decoupled from the substrate. However, a strong quenching of
the SAM’s π−π ∗ -excitation is observed in UV-Vis spectroscopy, pointing
out that lateral interactions among the azobenzene chromophores
in the crystal-like layer dominate both the charge transfer and the
geometrical structur of the SAM. This is supported by the energy dependence
of τCT that is atypical for tunnelling into the substrate. We
suppose that the ultrafast delocalization of the S2 excitation causes the
observed inefficiency of photochemical switching of alkanethiol based
SAMs.
O 34.7 (699) Tue 15:15 MA 043
Molecular Switches at Solid Surfaces: A DFT Study of
Azobenzene on Coinage Metals — •Erik McNellis, Abbas Dehghan
Baghi, and Karsten Reuter — Fritz-Haber-Institut, Faradayweg
4-6, D-14195 Berlin (Germany)
Following the rapidly advancing miniaturization in microelectronics
and sensing, molecules that may be switched between defined conformational
states are envisioned as fundamental storage and logic units
in a future “molecular nanotechnology”. Considering contacting and
defined integration into a larger framework, it is more precisely the
molecular function when the molecule is stabilized at a solid surface
that is of key interest. A necessary prerequisite for an atomic-scale
understanding of this function of the adsorbed switch is a detailed
structural and electronic characterization of the stable (or meta-stable,
long-lived) molecular states. For this, we use density-functional theory
and study the prototypical cis-trans isomer azobenzene (C6H5-
N=N-C6H5) at coinage metal surfaces. Treating electronic exchange
and correlation (xc) at the generalized gradient approximation (GGA)
level, we obtain an essentially zero net binding of both conformational
isomers at Ag(111) and Au(111). This is significantly different at
Cu(111), where the bonding particularly of the cis isomer is strong
enough to even reverse the gas phase energetic order of the two isomers.
We are able to rationalize these findings as a competition between the
covalent bonding of the central azo (-N=N-) bridge to the substrate on
the one side, and the surface interaction of the two closed-shell phenyl
(-C6H5) rings on the other side.
O 34.8 (484) Tue 15:30 MA 043
The role of surface-molecule interaction in the isomerisation
of Azobenzene molecules — •Nils Henningsen 1 , Riccardo
Rurali 2 , Katharina J. Franke 1 , Isabel Fernandez Torrente 1 ,
Gunnar Schulze 1 , Beate Priewisch 3 , Karola Rück-Braun 3 , and
Nacho Pascual 1 — 1 Institut für Experimentalphysik, Freie Universität
Berlin, Germany — 2 Departament d’Enginyeria Electrònica, Universitat
Autònoma de Barcelona, Spain — 3 Institut für Chemie, Technische
Universität Berlin, Germany
Azobenzene is a prototype molecular switch in the gas phase and
in solution. Upon adsorption on a surface, the switching properties
are largely influenced. By means of scanning tunnelling microscopy
(STM) and density functional theory (DFT) we investigate
the switching behaviour of an azobenzene derivative (DMC: di-metacyano-Azobenzene)
on several noble metal surfaces, Au(111), Ag(100)
and Cu(100). STM reveals that, after vacuum deposition, DMC adsorbs
exclusively as trans-isomers. By applying voltage pulses with the
STM tip, we are able to induce a conformational change into the cisconfiguration
on Ag(100) and on Cu(100). DFT calculations show that
the stabilization of the cis isomers is mediated by a strong hybridization
of the azo-group with the substrate. We argue that the larger
Tuesday
the hybridization with the substrate the more stable is the cis configuration.
This causes that the cis isomer is very stable on Cu(100),
while the reversible switching into the trans state is possible on Ag.
On Au(111) almost no hybridization is present thus we observe that
only the trans molecules is a stable state on the surface.
O 34.9 (411) Tue 15:45 MA 043
Adsorption studies of azobenzene molecules on Cu(001) and
Au(111) — •Marten Piantek, Matthias Bernien, Jorge Miguel,
and Wolfgang Kuch — Institut für Experimentalphysik, Freie Universität
Berlin, Arnimallee 14, 14145 Berlin
Mono- and multilayers of Dimetacyano-azobenzene (DMC) have been
evaporated under ultra high vacuum conditions on Au(111) and
Cu(001) substrates in order to investigate the influence of the substrate
on their physical properties. The electronic properties as well
as the adsorption geometry of the molecules were studied by angledependent
near-edge X-ray absorption fine structure (NEXAFS) spectroscopy.
DMC molecules adsorb in their planar trans conformation
flat on the Au(111) surface. X-ray photoemission spectroscopy (XPS)
of the monolayer on Au(111) yielded the same spectra as for the multilayer.
Thus we conclude that there are no additional chemical bonds
formed between the molecule and the metallic surface. On Cu(100)
the molecules in the first monolayer present an out-of-plane geometry
with respect to the substrate. From the change in the π* resonances
at the N K-edge NEXAFS we conclude that a molecular nitrogen πbond
breaks, while the angular dependence of NEXAFS shows that the
benzonitrile moieties are tilted out of the molecular plane. The XPS
N1s peaks of a monolayer of DMC on Cu(001) are shifted compared to
those of the multilayer sample, due to an additional bond formation
to the substrate.
O 34.10 (255) Tue 16:00 MA 043
Reversible switching of tetra-tert-butylazobenzene on
Au(111): A vibrational analysis — •László Óvári1,2 , Martin
Wolf 1 , and Petra Tegeder 1 — 1 Fachbereich Physik, Freie Universität
Berlin — 2 Reaction Kinetics Research Laboratory, Chemical
Research Center of HAS, Szeged, Hungary
High resolution electron energy loss spectroscopy (HREELS) is employed
to analyze reversible changes in the geometrical structure of
the molecular switch 3,3’,5,5’-tetra-tert-butylazobenzene (TBA) adsorbed
on Au(111), which are induced by UV-light and thermal activation.
TBA was chosen because the four lateral tert-butyl-groups
act as ”spacer-legs”to increase the separation between the surface and
the azobenzene π-system, and therefore leading to a reduced electronic
coupling. From angular dependent measurements, viz. specular and
off-specular scattering geometry, it could be proved that TBA adsorbs
in the planar trans configuration in the submonolayer regime. UVlight
exposure at 355 nm (3.5 eV) leads to pronounced changes in
the vibrational structure of the TBA molecules in direct contact with
the Au(111) surface, which we assign to a trans to cis isomerization.
The reverse process, that is, the cis to trans isomerization, can be
stimulated by thermal activation. An intensity decrease of vibrational
modes as a function of photon dose allows calculation of an effective
cross section of σ ≈ 2 ∗ 10 −21 cm 2 for the trans to cis isomerization.
O 34.11 (682) Tue 16:15 MA 043
Switching of Spiropyran molecules on a Au(111) surface
— •Gunnar Schulze, Michael Karcher, Katharina Franke,
Christoph Rüdt, Paul Fumagalli, and Jose Ignacio Pascual —
Inst. für Experimentalphysik, Freie Universität Berlin, Berlin, Germany
The photon and electron mediated conversion of the molecule 3methyl-6-nitro-spiropyran
(SP) into its merocyanine isomer were investigated
on a Au(111) surface by means of low temperature scanning
tunnelling microscopy (STM) and by photo-absorption spectroscopy.
STM resolves that the structure of SP molecular assemblies strongly
depend on parameters like temperature and molecular density. The
electronic properties of SP molecules on a metal surface, as obtained
by scanning tunnelling spectroscopy (STS) and by photo-absorption
spectroscopy, were compared to the electronic properties in solution.
The alignment of these molecular states is specially important when
inducing the SP to MC conversion.

O 35: Symposium: Atomic Wires at Surfaces II
(Invited Speakers: Erio Tosatti, Serge Lemay, Shuji Hasegawa)
Tuesday
Time: Tuesday 14:00–16:45 Location: HE 101
O 35.1 (594) Tue 14:00 HE 101
Magnetic phenomena, spin orbit effects, and electron transport
in*nanowire contacts, particularly in Platinum — •Erio
Tosatti 1,2 , Alexander Smogunov 2,1 , Andrea Dal Corso 1 , Anna
Delin 3 , and Ruben Weht 4 — 1 SISSA and Democritos, Trieste, Italy
— 2 ICTP, Trieste, Italy — 3 KTH Stockholm, Sweden — 4 CNEA San
Martin, Argentina
Nanocontacts between metal tips take in some instances the shape
of ultra-thin suspended nanowires. Ballistic electron conductance
through nanowire contacts is calculated based on plane wave/ultrasoft
pseudopotential code developed to handle magnetism and spin orbit.
As an application, the effect of magnetism on conductance will be
demonstrated for monatomic contacts of 3d metals such as Ni and Co
[1] with results in good agreement with break junction data.[2] Next,
I will describe a new form of nanomagnetism, consisting of the spontaneous
appearance of local magnetism at the nanocontact even in
transition metals that are nonmagnetic in bulk such as Pt or Pd. The
presence of nanomagnetism should in principle affect the conductance,
as is demonstrated by direct calculation. Due to strong spin orbit,
magnetism in a monatomic Pt nanowire or nanocontact should provide
a novel case of ”colossal magnetic anisotropy”.[3] [1] A. Smogunov
et al., Phys.Rev.B 70, 045417 (2004); Phys. Rev. B 74, 045429 (2006).
[2] C. Untiedt, et al., Phys. Rev. B 69, 081401 (2004). [3] A. Delin
and E. Tosatti, Phys. Rev. B 68, 144434 (2003); A. Delin, et al., Phys.
Rev. Lett. 92, 057201 (2004); A. Smogunov, A Dal Corso, A. Delin,
R. Weht and E. Tosatti, to be published.
O 35.2 (717) Tue 14:30 HE 101
One-dimensional low energy plasmons in Au atom chains
— •Tadaaki Nagao — World Premier International(WPI) Research
Center, International Center for Materials Nanoarchitectonics(MANA),
National Institute for Materials Science (NIMS), 1-1
Namiki, Tsukuba 305-0044 JAPAN
Sound-wave-like collective excitation in dense one-dimensional (1D)
electron systems confined to Au atom chains on the Si(557) surface is
investigated [1]. Electron energy loss spectroscopy using a highly collimated
slow electron beam has detected a characteristic low-energy
1D plasmon (wire plasmon) that Tomonaga has mentioned in his theory
[2]. This plasmon freely propagates along the Au atom chain and
appears as that of 1D free electron gas. However, theoretical analysis
adopting a quantum-mechanical scheme beyond the free-electron
model indicates a significant dynamic exchange-correlation effect due
to strong 1D confinement. By cooling to below 100 K, we detected
for the first time a significant change in the plasmon dispersion in the
tiny momentum and energy region, which definitely reflects a tiny gap
opening due to a metal-to-insulator transition of the atom chains. We
also detected similar 1D charge excitations on different silicon surfaces.
\noindent [1] T. Nagao, S. Yaginuma, T. Inaoka, T. Sakurai, Phys.
Rev. Lett. 97, 116802 (2006).
\noindent [2] S. Tomonaga, Prog. Theor. Phys. 5, 544(1950).
O 35.3 (354) Tue 14:45 HE 101
Atomic structure and electronic properties of rare earthsilicide
nanowires on Si(001) — •Martina Wanke 1 , Christian
Preinesberger 1 , Gerd Pruskil 1 , Denis Vyalikh 2 , Sergeij
Molodtsov 2 , Steffen Danzenbächer 2 , Clemens Laubschat 2 ,
Petar Stojanov 3 , Eric Huwald 3 , John Riley 3 , and Mario Dähne 1
— 1 Institute of Solid State Physics, Technical University Berlin, D-
10623 Berlin, Germany — 2 Institute of Solid State Physics, Technical
University Dresden, D-01219 Dresden, Germany — 3 School of Physics,
La Trobe University, Bundoora, VIC 3086, Australia
Scanning tunneling microscopy (STM) and angle-resolved photoemission
(ARPES) are used to investigate the self-assembly and electronic
structure of rare earth silicide nanowires on Si(001) surfaces. Two
types of self-assembled nanowires can be formed depending in particular
on annealing temperature and material exposure. In high resolution
STM images we found closed-packed thin nanowires and free-standing,
broad nanowires with similar properties on planar and vicinal Si(001)
surfaces. Using ARPES at BESSY II for electronic characterization
we discovered three strongly dispersing bands crossing the Fermi en-
ergy along the nanowire direction for the free-standing nanowires. A
beginning weak dispersion of electronic states is also found for the
thin nanowire type. In perpendicular direction both types only show
a periodic intensity variation at the Fermi energy, but negligible dispersion.
The Fermi surface shows one-dimensional electronic features.
This project was supported by DFG, project number Da 408/11.
O 35.4 (604) Tue 15:00 HE 101
ELS-LEED investigations of Dy-silicide nanostructures on
Silicon — •Svend Vagt 1 , Eddy Patrick Rugeramigabo 1 , Tadaaki
Nagao 2 , and Herbert Pfnür 1 — 1 Institut für Festkörperphysik,
Leibniz Universität Hannover, Germany — 2 National Institute for Materials
Science, Tsukuba, Japan
Dysprosium silicide nanostructures have been grown by depositing up
to 1ML of Dy on Si(111) and on vicinal Si(001) substrates. Ultra-high
vacuum conditions (p ≤ 1×10 −10 mbar during Dy deposition) are prerequisite
to avoid Dy oxidation. The atomic and electronic properties
have been investigated using ELS-LEED, which allows the simultaneous
study of geometric and electronic properties at the same point in
k-space with both high momentum and energy resolution.
Deposition of 1ML of Dy on Si(111) at RT followed by annealing
at 500 ◦ C results in a flat monolayer with DySi2 stoichiometry. The
diffraction pattern revealed the typical 1×1 structure. A 2D-Plasmon
dispersion is reported for the first time with a √ q || behavior up to
q ||=0.08 ˚A −1 in k-space. High quality arrays of parallel nanowires have
been grown on 4 ◦ -vicinal Si(001) at 500 ◦ C for a Dy coverage around
0.4ML. A n×2 periodicity has been found, with n shifting from 10 to 7
for increasing coverage up to 0.75ML. The energy loss disperses only in
the direction along the nanowires, whereas in the perpendicular direction
the plasmon can not be excited. The plasmon dispersion turned
out to be a quasi-1D-plasmon. It has been accurately simulated by
explicitely taking into account the finite width of the DySi2 nanowire
structures. Interactions between adjacent nanowires play a minor role.
15 min. break
O 35.5 (1) Tue 15:30 HE 101
Simultaneous electrical transport and scanning tunneling
spectroscopy of carbon nanotubes — Brian J. LeRoy, Iddo
Heller, Vijay K. Pahilwani, Jing Kong, Cees Dekker, and •Serge
G. Lemay — Kavli Institute of Nanoscience, Delft University of Technology,
The Netherlands
Using scanning tunneling spectroscopy, we demonstrate that current
directly injected into a freely suspended individual single-wall carbon
nanotube can be used to excite, detect and control a specific vibrational
mode of the molecule. Electrons tunneling inelastically into the
nanotube cause a non-equilibrium occupation of the radial breathing
mode, leading to both stimulated emission and absorption of phonons
by successive electron tunneling events. We exploit this effect to estimate
a quality factor of well over 10,000 for this nanomechanical
oscillator. We further employ the suspended geometry to perform
scanning tunneling spectroscopy measurements on single-walled carbon
nanotubes with independently addressable source and drain electrodes
in the Coulomb blockade regime. This three-terminal configuration
allows the coupling to the source and drain electrodes to be
quantitatively measured, which we exploit to demonstrate that electrons
were added to spin-degenerate states of the carbon nanotube.
Unexpectedly, the Coulomb peaks also show a strong spatial dependence.
By performing simultaneous scanning tunneling spectroscopy
and electrical transport measurements we show that the probed states
are extended between the source and drain electrodes and that the
observed spatial dependence thus reflects a tip-induced modulation of
the contact resistance.
O 35.6 (267) Tue 16:00 HE 101
Transport at Atomic Wires on Silicon Surfaces — •Shuji
Hasegawa — University of Tokyo, Tokyo, Japan
Owing to new techniques of microscopic four-point probes with four-tip
scanning tunneling microscope (4T-STM) and monolithic four-point
probes, electronic transport through single-atomic layers as well as

atomic chains and nanowires on semiconductor crystals can be now
measured directly. Interesting transport properties of such atomicscale
structures have been revealed; the instability and atomic-scale
defects intrinsic to atomic wires play decisive roles in transport. I
will introduce and summarize several topics in the talk such as metalinsulator
transition, hoping conduction due to defects, inter-chain
transport and so on. Recent advancements with metal-coated carbonnanotube
tips in 4T-STM are also introduced.
O 35.7 (500) Tue 16:30 HE 101
Structural influence towards transport: Pb wires on Si(557)
— •Marcin Czubanowski, Annemarie Schuster, Christoph
Tegenkamp, and Herbert Pfnür — Institut of Solid State Physics,
Surface Science Department, Hannover, Germany
The adsorption of 1.3 ML of Pb on Si(557) substrates followed by annealing
at 640K leads to the formation of an anisotropic metallic struc-
Tuesday
tures as revealed by conductivity, STM and ARPES measurements.
Those structures below 78K show metallic conductance along the Pbchains,
whereas in the direction perpendicular to the chain-structure
an insulating behavior has been found. Additionally, ARPES measurements
have shown that below Tc, those structures undergo complete
Fermi nesting in the direction normal to the structure. In our recent
LEED experiments, the chain structure has been systematically investigated
as a function of temperature by means of SPA-LEED analysis.
The adsorption of Pb transforms (locally) the surface into a regularly
stepped (223) facet below Tc. This structure undergoes reversibly a
comensurable-incomensurable phase transition at Tc = 78K as judged
from changes in position of step diffraction spots in the [11 2] direction
and also the periodicity of domain wall reflexes in the [11 0] direction.
Furthermore, the transition depends crucially on the Pb coverage. If
the steps are decorated by excess Pb, e.g. 1.5ML, the transition is
strongly suppressed.
O 36: Surfaces and Films: Forces, Structure and Manipulation
Time: Tuesday 14:15–16:45 Location: MA 041
O 36.1 (384) Tue 14:15 MA 041
Low-Temperature STM Study of the ( √ 3 × √ 3)30 ◦ Reconstructed
Ni2P (0001) Surface - Atomic Resolution and Geometric
Model — •Georg Hermann Simon 1 , Thomas König 1 ,
Markus Heyde 1 , Hans-Joachim Freund 1 , Kumiko Kinoshita 2 ,
Yuta Nakagawa 2 , Shushi Suzuki 2 , and Kiyotaka Asakura 2 —
1 Fritz-Haber-Institute of the Max-Planck-Society, Faradayweg 4-6, D-
14195 Berlin, Germany — 2 Catalysis Research Center, Hokkaido University,
Sapporo 001-0021, Japan
New catalysts have to be found to follow the demanding legislation
around the world for the reduction of sulfur contents in transportation
fuels. A promising candidate is Ni2P [1], which is fairly new
to surface science. Despite several wet-chemical studies, simulation,
spectroscopic and the first room-temperature STM characterization
[2] there are many open questions to this material. In surface studies
(0001) oriented single crystals have been analyzed so far. In our ultrahigh
vacuum low-temperature STM study we worked on a deeper
understanding of the surface termination, its preparation and mircostructure.
We present atomically resolved images of a previously
unreported ( √ 3× √ 3)30 ◦ reconstruction of the (0001) surface. We put
forward considerations for a geometrical model that is being developed
in our cooperation based on the Ni3P1 termination of Ni2P (0001).
[1] X. Wang, P. Clark, S.T. Oyama, J. Catal. 208 (2002) 321.
[2] M.G. Moula, S. Suzuki, W.-J. Chun, S. Otani, S.T. Oyama, K.
Asakura, Surf. Interface Anal. 38 (2006) 1611.
O 36.2 (180) Tue 14:30 MA 041
Force measurement with a scanning tunneling microscope —
•Kai-Felix Braun 1,2 and Saw-Wai Hla 2 — 1 Physikalisch Technische
Bundesanstalt, Bundesallee 100, 38116 Braunschweig — 2 Clippinger
Laboratories, Ohio University, Athens, Ohio 45701, USA
We present a method to measure the interaction force between single
atoms with a scanning tunneling microscope [1]. During experiments
for atomic manipulation with a scanning tunneling microscope the tip
height curve is recorded. It is shown here that the amplitude of the
manipulation curve is a measure for the interaction force between the
microscopes tip and a single atom adsorbed on a surface. A simple
formula is derived and tested. Extensions of this scheme to different
surfaces shall be discussed.
[1] K.-F. Braun and S.W. Hla, Physical Review B 75 (2007), 033406
O 36.3 (282) Tue 14:45 MA 041
The Force to Move an Atom — •Markus Ternes 1 , Christopher
P. Lutz 1 , Cyrus F. Hirjibehedin 1 , Franz J. Giessibl 2 , and Andreas
J. Heinrich 1 — 1 IBM Research Division, Almaden Research
Center, San Jose, USA — 2 Institute of Experimental and Applied
Physics, University of Regensburg, Regensburg, Germany
Atomic manipulation of single atoms and molecules by scanning probe
microscopy enables the assembly of structures at the single-atom scale
– the ultimate lower size limit. However, it has been difficult to answer
the simple question: How much force does it take to manipulate
atoms and molecules on surfaces? To address this question, we used a
combined atomic force and scanning tunneling microscope to simultaneously
measure the force and the current between an adsorbate and
a tip during atomic manipulation.
We found that the force it takes to move an atom depends crucially
on the binding between adsorbate and surface. Our results indicate
that for moving metal atoms on metal surfaces, the lateral force component
plays the dominant role. In contrast, we found that the forces
to manipulate molecular adsorbates, such as carbon monoxide (CO),
were markedly different.
Measuring the forces during manipulation yielded the full potential
energy landscape of the tip-sample interaction. Surprisingly, the potential
energy barriers are comparable to diffusion barriers, which are
obtained in the absence of a probe tip.
O 36.4 (442) Tue 15:00 MA 041
Lateral Resolution in Piezoresponse Force Microscopy — Tobias
Jungk, Akos Hoffmann, and •Elisabeth Soergel — Institute
of Physics, University of Bonn, Wegelerstrasse 8, 53115 Bonn, Germany
Among the methods for visualization of ferroelectric domains piezoresponse
force microscopy (PFM) has become a very common technique
mainly due to its high lateral resolution without any need for specific
sample preparation. Although domain structures are easily imaged
with this method, the lateral resolution and thus the observed domain
wall width is still under discussion. The reported values for the width
of 180 ◦ domain walls scatter noticeably. These inconsistencies can
be explained by the PFM background inherent to the experimental
setup that can broaden the observed domain wall widths. In this contribution,
we present a quantitative study of the resolution in PFM
depending on the tip radius, the type of sample and the thickness
of the sample. For bulk single crystals the measured linear dependency
of the width of the domain wall on the tip radius using PFM is
validated by a simple theoretical model. Independent on the crystal
type (BaTiO3, KNbO3, KTP, LiNbO3, LiTaO3, PGO and SBN) the
same lateral resolution was measured. Using a Ti-Pt-coated tip with
a nominal radius of 15 nm the so far highest lateral resolution in bulk
ferroelectric crystals of only 17 nm was obtained.
O 36.5 (567) Tue 15:15 MA 041
Morphology and electronic structure of epitaxially grown
CuInS2 films — •Carsten Lehmann 1 , Volker Eyert 2 , and Christian
Pettenkofer 1 — 1 Hahn-Meitner-Institut, SE6, Berlin, Germany
— 2 Universität Augsburg, Inst. f. Physik, Augsburg, Germany
The ternary compound semiconductor CuInS2 with a direct band
gap of 1.53 finds application as absorber material in modern thin
film solar cells. For a better understanding of the parameters determining
the properties of a junction detailed information on the
electronic structure is necessary. We report on ARUPS measurements
on thin epitaxial CuInS2 films prepared on sulfur passivated
GaAs(100) and GaAs(111)B. Samples were prepared in a combined
UHV GSMBE deposition and analysis system with an organic sulfur
precursor. The bandstructure mapping was performed at the beamline
TGM7 at BESSY II. The experimentally obtained electronic structure

for CuInS2(001) shows good agreement with augmented spherical wave
(ASW) calculations based on density functional theory (DFT) and the
local density approximation (LDA). For CuInS2(112) films deposited
on GaAs(111)B substrates we observe a LEED pattern with a sixfold
symmetry which is not in accordance with a simple chalcopyrite (112)
structure. We will discuss the observed structure within a domain
model of the surface and its implications on our obtained spectra.
O 36.6 (118) Tue 15:30 MA 041
3D force field measurements using non-contact atomic force
microscopy on KBr: Theory and Experiment — •Kai
Ruschmeier 1,2 , Regina Hoffmann 3 , and André Schirmeisen 1,2 —
1 Physikalisches Institut, Westfälische Wilhelms-Universität, Wilhelm-
Klemm Str. 10, 48149 Münster — 2 CeNTech, Center for Nanotechnology,
Heisenbergstr. 11, 48149 Münster — 3 Physikalisches Institut,
Universität Karlsruhe, 76128 Karlsruhe
Atomic force microscopy is capable of characterizing surfaces with
atomic resolution. Here, we use an ultrahigh vacuum atomic force microscope
in non-contact mode to measure the three-dimensional force
field [1,2] of a KBr(001) surface at room temperature. On a predefined
grid we measure the force distance curves over a wide range of
tip-sample distances, from attractive to repulsive forces. Atomic resolution
surface scans before and after the 3D force curve measurements
showing single atomic defects assured an unmodified atomically sharp
tip. The subtraction of long-range van-der-Waals and electrostatic
forces allows us to extract the short-range chemical forces. The results
show good agreement with site-specific atomistic simulations of shortrange
tip-sample forces for a K + -terminated tip [3] and thus allow us
to identify the tip apex atom polarity as well as the lattice sites in our
AFM images. Furthermore we calculate the lateral tip sample force
from the potential energy landscape and compare these results with
theoretical predictions.
[1] H. Hölscher et al., APL 81, 4428 (2002) [2] A. Schirmeisen et al.,
PRL 97, 136101 (2006) [3] R. Hoffmann et al., PRL 92, 146103 (2004)
O 36.7 (230) Tue 15:45 MA 041
Single crystal microcalorimetry: Measuring molecule-surface
interactions — •Jan-Henrik Fischer 1 , Jason Farmer 2 , Jens
Hartmann 1 , Swetlana Schauermann 1 und Hans-Joachim Freund 1
— 1 Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin —
2 Department of Chemistry, University of Washington, Seattle
Determination of the strength of adsorbate-surface interaction is an
important fundamental issue in surface science and an essential prerequisite
for understanding real catalytic processes. The strength of
adsorbate-surface bonding and of lateral adsorbate-adsorbate interactions
can be addressed by measurement of heats of adsorption as a function
of surface structure, coverage and presence of other co-adsorbates.
Traditional experimental techniques for probing the energetics of adsorption,
such as e.g. thermal desorption spectroscopy, provide reliable
results only for reversible adsorption systems and cannot be correctly
applied for processes including dissociation, clustering, diffusion into
the bulk or reaction with other coadsorbates. These restrictions can
be overcome by using a direct calorimetric measurement of adsorption
energies on surfaces. For this purpose we set up a new microcalorimetry
experiment at Fritz-Haber-Institut, which is based on a method
previously developed by King and Campbell [1]. The method relies on
the measurement of a temperature change upon adsorption of gaseous
molecules on ultrathin (1 − 10 µm) single crystals, which is realized by
application of a pyroelectric detector and an independent laser-based
energy calibration.
[1] Campbell et al., Rev. Sci. Instr. 75, 11 (2004)
O 36.8 (616) Tue 16:00 MA 041
Investigating surface dynamics with inelastic X-ray scattering
— •Bridget Murphy 1 , Martin Müller 1 , Jochim Stettner 1 , Herwig
Requardt 2 , Jorge Serrano 2 , Michael Krisch 2 , and Werner
Press 1 — 1 Institut für Experimentelle und Angewandte Physik,
Tuesday
Christian-Albrechts-Universität zu Kiel, D-24098 Kiel, Germany —
2 ESRF, BP 220, F-38043 Grenoble Cedex 9, France
Inelastic x-ray scattering in grazing incidence conditions provides a
new tool to selectively study either surface or bulk lattice dynamics in
a single experiment. It is possible to study acoustic and optical surface
phonon modes currently with a 3meV resolution over a wide range of
momentum space and make a direct comparison between surface and
bulk dispersion. In particular 2H − NbSe2 and 2H − TaSe2will be discussed.
For these materials a Kohn anomaly has been previously reported.
Our data demonstrate that the softening of the Kohn anomaly
at the 2H − NbSe2 surface is significantly greater that that reported
for the bulk [1]. This is an indication of a relaxation in the top most
layers of the crystal. Temperature dependent studies will be presented.
[1] B. M. Murphy, H. Requardt, J. Stettner, J. Serrano, M. Krisch,
M. Müller, W. Press, Phys. Rev. Lett. 95, 256104 (2005)
O 36.9 (328) Tue 16:15 MA 041
Variations of the electrochemical potential at monoatomic
steps resolved by scanning tunneling potentiometry — •Mark
Kaspers 1 , Alexander Bernhart 1 , Bastian Weyers 1 , Evgeny
Zubkov 1 , Rolf Möller 1 , Christian Bobisch 2 , Jan Homoth 3 , Martin
Wenderoth 3 , Thomas Druga 3 , Lars Winking 3 , and Rainer-G.
Ulbrich 3 — 1 University of Duisburg-Essen, Department of Physics,
Duisburg, Germany — 2 University of California, Irvine, USA —
3 Georg-August-University, Physical Institute, Göttingen, Germany
On macroscopic scale the energy dissipation of electrons scattering at
phonons, atomic steps, grain boundaries etc. contribute to the total
resistivity. To gain access to these effects on the nanoscale scanning
tunneling potentiometry was performed on a Si(111)-( √ 3× √ 3)-Ag surface
superstructure. The experimental data show how the variations
of the electrochemical potential are correlated to the topography. E.g.
the potential drops at step edges on a lengthscale of about 1.2nm.
Our setup consists of an optimized Omicron Nanoprobe equipped
with three independent STM-units. Two STM-tips were used to apply
a constant lateral current through the Ag adlayer. The third tip maps
the topography as well as the local potential simultaneously.
Our experiment gives access to the spatial variations of the potential
inside the structure itself right across the obstacles. This provides
a new insight in the elementary processes of the electric resistance
observed in macroscopic experiments.
O 36.10 (78) Tue 16:30 MA 041
Photoemission experiments using soft x-ray standing waves
— •Sven Döring 1,2 , Daniel Weier 1,2 , Ulf Berges 1,2 , Charles
S. Fadley 3,4,5 , and Carsten Westphal 1,2 — 1 DELTA, TU Dortmund,
Maria-Goeppert-Mayer-Str. 2, 44221 Dortmund, Germany
— 2 Experimentelle Physik 1, TU Dortmund, Otto-Hahn-
Str. 4, 44221 Dortmund, Germany — 3 Materials and Sciences
Division, Lawrence Berkeley National Laboratory, Berkeley, CA
94720, USA — 4 University of California, Davis, CA 95616, USA —
5 Forschungszentrum Jülich, IFF-9, 52425 Jülich, Germany
A high depth resolution can be obtained by creating a soft x-ray standing
wave field on the sample surface and performing photoemission
experiments in this field. A high reflectivity is necessary for a sufficient
standing wave modulation. Multilayer samples are used which
provide a strong first order Bragg reflection. The standing wave field
can be moved through the sample surface by a sample rotation around
the Bragg angle. The shape and modulation of these rocking curves
contain information about the sample. First measurements on various
samples were performed at the TU Dortmund’s synchrotron light
source DELTA and at higher energies at BESSY II in Berlin. Results
from different samples will be presented in the talk: rocking curves
from bare multilayers will be shown as well as a first test measurement
of a thin layer of MgO on a wedge of F e on top of a multilayer. The
data show depth profiles obtained of the internal interface. Different
chemical states of the same element can be identified by their chemical
shift in the XPS spectrum and allocated to certain layers.
O 37: SYNF: Ferroic Materials and Novel Functionalities II (Invited Speakers: Jochen Mannhart,
Warren Pickett, Yoshinori Tokura, Ramamoorthy Ramesh, Agnes Barthelemy, Evgeny Tsymbal;
FV: MA+O+MM+DF+DS+HL+TT)
Time: Tuesday 14:30–17:30 Location: A 151

See SYNF for details about the program.
Tuesday
O 38: SYSA: Tayloring Organic Interfaces: Molecular Structures and Applications III (Invited
Speaker: Alberto Salleo; FV: DS+CPP+HL+O)
Time: Tuesday 14:30–16:30 Location: H 2013
Invited talk and contributions
O 39: SYSA: Tayloring Organic Interfaces: Molecular Structures and Applications IV (Poster;
FV: DS+CPP+HL+O)
Time: Tuesday 14:30–20:00 Location: Poster A
Poster session
O 40: SYSA: Tayloring Organic Interfaces: Molecular Structures and Applications V (Invited
speaker: Henning Sirringhaus; FV: DS+CPP+HL+O)
Time: Tuesday 16:30–18:30 Location: H 2013
Invited talk and contributions
O 41: Invited Talk Christian Frischkorn
Time: Tuesday 17:00–17:45 Location: HE 101
Invited Talk O 41.1 (17) Tue 17:00 HE 101
Nonadiabatic Processes in Surface Femtochemistry at Metals
— •Christian Frischkorn — Freie Universität Berlin, Fachbereich
Physik, Arnimallee 14, 14195 Berlin
A fundamental understanding of chemical reaction dynamics relies
on the Born-Oppenheimer approximation, a key concept in chemical
physics which assumes that the reaction evolves electronically adiabatically
on the ground or an excited potential energy surface. Thereby,
nonadiabatic coupling effects between nuclear motions and electronic
degrees of freedom are neglected. However, in surface femtochemistry,
O 42: Invited Talk Gil Alexandrowicz
where a chemical reaction on a surface is initiated by an ultrashort
laser pulse, exactly this nonadiabatic coupling between electron-hole
pair excitations in the metal substrate and nuclear (vibrational) degrees
of freedom of the adsorbed reactants provides the base to describe
the evolving reaction dynamics. The appeal of surface femtochemistry
is to switch on this nonadiabaticity directly in the time
domain. Various time-resolved spectroscopic techniques are used to
obtain microscopic-level information on the underlying reaction mechanism,
coupling times and energy partitioning between different degrees
of freedom of the reaction product as will be illustrated by several
examples of femtosecond-laser induced surface reactions.
Time: Tuesday 17:45–18:30 Location: HE 101
Invited Talk O 42.1 (13) Tue 17:45 HE 101
Lateral Interactions on Surfaces: An Empirical Perspective
— •Gil Alexandrowicz 1 , Pepijn R. Kole 1 , Everett Y. M. Lee 1 ,
Holly Hedgeland 1 , Riccardo Ferrando 2 , Andrew P. Jardine 1 ,
William Allison 1 , and John Ellis 1 — 1 Cavendish Laboratory, University
of Cambridge, Cambridge, UK — 2 Dipartimento di Fisica, Università
di Genova, Genova, Italy
Lateral forces between surface atoms and molecules play a critical
role in a wide variety of surface related phenomena. Examples include
thin film growth, industrial catalysis, and the assembly of nanostructures.
Direct experimental data for the nature and the magnitude
of these forces was typically unavailable, and simplifying assumptions
were made both to deduce these interactions from indirect macroscopic
measurements and to include them in numerical models of surface systems.
The recently developed helium spin echo spectrometer[1], has the
unique capability to measure both surface motion and lateral interactions
on an atomic length scale and on a pico to nano-second time
scale[2]. In this talk I will describe how this instrument is used to
measure lateral interactions and present recent results obtained for
the strongly interacting surface system CO/Pt(111). Surprisingly, we
find that the standard surface science approximations completely fail
to describe this prototypical system and that the interactions between
the CO molecules are of a complex many body nature. [1] AP Jardine
et. al. Science 305, 1790 (2004). [2] G Alexandrowicz et. al. Phys.
Rev. Lett. 97, 156103(2006).
O 43: Poster Session II - MA 141/144 (Surface Spectroscopy on Kondo Systems; Frontiers of
Surface Sensitive Electron Microscopy; Methods: Scanning Probe Techniques+Electronic
Structure Theory+Other; Time-Resolved Spectroscopy of Surface Dynamics with EUV and XUV
Radiation; joint by SYNF posters)
Time: Tuesday 18:30–19:30 Location: Poster F
O 43.1 (75) Tue 18:30 Poster F The Kondo-resonance in photoemission spectra on ordered

Ce surface alloys — •Markus Klein 1 , Christina Albers 1 ,
Juarez Da Silva 3 , Kevin Beach 2 , Fakher Assaad 2 , and Friedrich
Reinert 1 — 1 Universität Würzburg, Experimentelle Physik II, Am
Hubland, 97074 Würzburg, Germany — 2 Universität Würzburg, Theoretische
Physik I, Am Hubland, 97074 Würzburg, Germany —
3 National Renewable Energy Laboratory, 1617 Cole Blvd., Golden,
CO 80401, USA
The physical properties of Kondo systems are determined by interactions
between localized f-states and conduction electrons. Of particular
interest are low-dimensional systems as they can serve as elementary
model systems. Due to its surface sensitivity angle-resolved
photoelectron spectroscopy (ARUPS) is an excellent tool to study directly
the electronic structure of a two-dimensional Kondo system.
This requires highly ordered and ultra thin singlecrystalline films. We
have prepared singlecrystalline Ce surface-alloys by in situ deposition
of Ce on noble metal surfaces. Our ARUPS results show a temperature
and wave-vector dependent Kondo-resonance and other hybridization
effects. We discuss our spectroscopic results with the help of data from
isostructural La films, LDA+U, and DMFT calculations.
O 43.2 (583) Tue 18:30 Poster F
Temperature Dependence of the Single Particle Spectral
Function of the 2D Kondo Lattice Model using the Dynamical
Cluster Approximation — •Lee Martin and Fakher Assaad
— Universität Würzburg, Germany
We apply the dynamical cluster approximation, with a quantum Monte
Carlo cluster solver using various cluster sizes, to the two-dimensional
Kondo lattice model to investigate the evolution of the conduction electron
single particle spectral function as a function of temperature. In
the hole doped, paramagnetic metallic phase the problem contains two
energy scales: the Kondo temperature, TK, and the lower scale, the coherence
temperature Tcoh. With decreasing temperature, moving from
the local moment to Kondo screened regime, we look for signatures of
TK in the spectral function before finally observing the formation of
the coherent heavy fermion state at and below Tcoh.
O 43.3 (516) Tue 18:30 Poster F
Evidence for quantum confinement in lognormal size distributed
nanodiamonds — •Thomas Berg 1 , Edit Marosits 2 ,
Jochen Maul 1 , Peter Nagel 3 , Ulrich Ott 2 , Florian Schertz 1 ,
Stefan Schuppler 3 , Christa Sudek 2 , and Gerd Schönhense 1 —
1 Institut für Physik, Staudingerweg 7, D-55128 Mainz, Germany —
2 Max-Planck-Institut für Chemie, Becherweg 27, D-55128 Mainz, Germany
— 3 Forschungszentrum Karlsruhe, IFP, 76021 Karlsruhe, Germany
Quantum confinement (QC) in semiconductor nanoparticles was discovered
more than two decades ago and received increasing interest
during the recent years. In the case of nanodiamonds evidence for QC
was reported by [1], but the discussion on the extend of these effects
in nanosized diamonds is still ongoing [2,3,4].
We report on NEXAFS-PEEM measurements of the Carbon K-edge
of meteoritic nanodiamonds. The NEXAFS spectrum of this nanodiamond
population shows a broadened and asymmetric exciton which
was assigned to the particles size distribution in recent publications
but a detailed explanation is still missing. We present quantitative
analysis of the modified peak shape in respect to energy shifts of the
exciton and the onset of the carbon K-edge caused by the well known
size distribution of this nanodiamond population as a consequence of
QC. This project is supported by DFG (SCHO 341/10-1).
[1] Chang et al., Phys. Rev. Lett. 82, 5377 (1999) [2] Lley et al.,
Phys. Rev. Lett. 84, 5679 (2000) [3] Pong et al., Phys. Rev. Lett. 84,
5680 (2000) [4] Willey et al., Phys. Rev. Lett. 95, 113401 (2005)
O 43.4 (517) Tue 18:30 Poster F
Setup and Characterization of a Standing-Wave PEEM
for EUVL mask inspection — •Jochen maul 1 , Jingquan
Lin 2 , Andreas Oelsner 1 , Dima Valdaitsev 1 , Nils Weber 3 ,
Matthias Escher 3 , Michael Merkel 3 , Ulf Kleineberg 2 , and
Gerd Schoenhense 1 — 1 Institut fuer Physik, Staudinger Weg
7, Johannes Gutenberg-Universitaet, D-55128 Mainz — 2 Ludwig
Maximilian-Universitaet, Am Coulombwall 1, 85748 Garching —
3 Focus GmbH, Neukirchner Str. 2, D-65510 Huenstetten-Kesselbach
Extreme ultraviolet lithography (EUVL) is one of the promising possibilities
for driving the critical dimensions of semiconductor devices to
the ultimate limit. One central issue for chip production using EUVL
is the quality of reflective masks with patterned absorbers, employed
Tuesday
for the structuring of semiconductor elements. Here, the density and
the properties of defects are essential. For multilayer optics, two different
types of defects are generally distinguished: amplitude defects
and phase defects (or ”buried defects”) distorting the standing electrical
wave inside the multilayer and leading to variations in the field
strength at the surface. We show that standing-wave PEEM is a very
powerful method as a spatially resolving detector for ”at-wavelength
(13.5 nm)” metrology. A setup has been designed that allows the study
of masks with a size of six square inches. The present detection limit
of our method for phase defects is 35 nm.
This work is supported by the European Union (6th Framework program)
within the project ”Exploring new limits to Moores law- More
Moore”.
O 43.5 (519) Tue 18:30 Poster F
Optical magnetic circular dichroism in two-photon photoemission
— •Kerstin Hild, Jochen Maul, Gerd Schoenhense, and
Hans-Joachim Elmers — Institut fuer Physik, Staudinger Weg 7,
Johannes Gutenberg-Universitaet, D-55128 Mainz
Magnetic circular dichroism in two-photon photoemission (2PPE)
was demonstrated based on frequency-doubled femtosecond laserlight
(pulse length ˜150fs). Thin films of Ni2MnGa and Co2FeSi Heusler
alloys showed magnetic asymmetries in the integrated photoemission
intensity of 0.35% and 0.43%. Thereby, 2PPE was excited by perpendicular
incident polarization-modulated light, while the sample magnetization
was orientated parallel and antiparallel to the laser beam by
an external magnetic field. Asymmetries were measured by a phasesensitive
detection. Furthermore a magnetite thin film was investigated
by frequency-tripled laser light in one-photon photoemission showing
a magnetic asymmetry of 0.47%, which is much larger than the
value 0.08% measured under two-photon-photoemission. The results
are compared with earlier work using linearly polarized UV light [1]
and circularly polarized laser light [2].
[1] G.K.L. Marx, H.J. Elmers, G. Schönhense, Phys. Rev. Lett. 84
(2000) 5888. [2] T. Nakagawa, T. Yokoyama, Phys. Rev. Lett. 96
(2006) 237402.
O 43.6 (525) Tue 18:30 Poster F
Transmission photoemission electron microscopy for lateral
mapping of the X-ray absorption structure of a metalloprotein
in a liquid cell — •Daniel Panzer 1 , Christian Beck 2 , Jochen
Maul 1 , Marco Möller 2 , Heinz Decker 2 , and Gerd Schönhense 1
— 1 Institut fuer Physik, Staudinger Weg 7, Johannes Gutenberg-
Universitaet, D-55099 Mainz — 2 Institut fuer Molekulare Biophysik,
Welderweg 26, D-55099 Mainz
The mechanism of oxygen incorporation in respiratoty proteins is subject
of intensive discussion. We use photoemission electron microscopy
in an X-ray transmission mode for full-field imaging of the X-ray absorption
structure of copper in the respiratory metalloprotein hemocyanin
KLH1. It contains 160 oxygen bonding sites. Each site reversibly
binds one molecule oxygen between two copper atoms. In
our setup, hemocyanin is dissolved in aqueous solution and enclosed
in an ultra-high vacuum compatible liquid sample cell with silicon nitride
membranes. The local X-ray absorption structure of the liquid
sample is converted into photoelectrons at the microscope side of the
cell acting as a photocathode. In this way, different copper valences
are laterally distinguished under in vivo-like conditions, attributed to
Cu(I) in the deoxy-state and Cu(II) in the oxy-state.
This project was funded by the DPG (SCHO 341/7).
O 43.7 (588) Tue 18:30 Poster F
Time and energy resolved mulitphoton-photoemission microscopy
of organic materials — •Florian Lindla, Gerhard
Lilienkamp, and Winfried Daum — Institut für Physik und
Physikalische Technologien, TU Clausthal, Leibnizstraße 4, 38678
Clausthal, Germany
Polystyrene (PS) microspheres and PS films on oxidized Pt surfaces
were investigated by a photoemission-electron-microscope (PEEM)
with 400nm (3.1eV) fs laser excitation. For pump-probe measurements
the illumination system was equipped with a delay-line consisting of
thin film polarizer plates as beam splitter/combiner.
Energy resolved measurements on PS microspheres (300nm in diameter)
resulted in an energy distribution showing one peak, which
slightly shifts to higher electron energies at higher laser intensities.
For further investigation first time resolved measurements were performed
on an oxidized Pt surface with partial PS coverage (around
100nm thickness), revealing the expected 2-photon-photoemission

(2PPE) signal for the Pt substrate, while the signal of the PS coating
is independent of probe delay, presumably due to an highly filled
intermediate state proposed before.
O 43.8 (27) Tue 18:30 Poster F
Characterization of W-Tips used in Tuning-Fork Non-
Contact Atomic Force Microscopy by Field Ion Microscopy
— •Daniel-Alexander Braun 1 , Jens Falter 1,4 , Thomas König 2 ,
André Schirmeisen 1,4 , Hendrik Hölscher 4 , Udo D. Schwarz 3 ,
and Harald Fuchs 1,4 — 1 Institute of Physics, University of
Münster, Münster, Germany — 2 Fritz-Haber-Institut der Max-Planck-
Gesellschaft, Berlin, Germany — 3 Department of Mechanical Engineering,
Yale University, New Haven, CT, USA — 4 Center for Nanotechnology
(CeNTech), University of Münster, Münster, Germany
The atomic force microscope (AFM) is capable to image surfaces with
atomic resolution. However, the interpretation of the atomic scale
contrast is often difficult and inconclusive. This deficiency is partly
caused by the unknown structure of the probing tip, as the chemical
interaction between tip and surface and therefore the image contrast
is largely determined by the exact configuration of the tip apex. Field
ion microscope (FIM) images, on the other hand, enable a complete
reconstruction of the atomic geometry of a sharp metallic tip. In this
work, we present a special tip holder which can be used in both our
home-built AFM and FIM. This combination allows to characterize the
exact atomic structure of both interaction partners, the sample and the
tip. First results are presented, where the apex radii of electrochemically
etched tungsten tips are determined by FIM and subsequently
correlated to force distance curves.
O 43.9 (45) Tue 18:30 Poster F
Self-actuating self-sensing cantilever for dynamic AFM —
•Henning von Allwörden, Alexander Schwarz, C. Julian Chen,
and Roland Wiesendanger — Institute of Applied Physics, University
of Hamburg, Jungiusstraße 11, 20355 Hamburg
Conventional AFM force sensors consist of a flexible cantilever beam
made from silicon. For operation in the dynamic mode they are actuated
by a driver piezo. Common methods for detection of the cantilever
oscillation are optical techniques like beam deflection or interferometry.
Hence, force sensor, its actuation and its detection are three separated
devices. Combining them into a single device would make AFM instruments
much simpler in design and handling. The qPlus sensor [1]
is a tuning fork based on z-cut quartz. One arm is glued to a substrate,
the other serves as a cantilever. The cantilever oscillation is detected
by utilizing the piezoelectric effect of quartz via a pair of electrodes.
However, excitation is still done externally. Furthermore, these sensors
have large spring constants, resulting in a low force sensitivity. It
is not possible to choose from a large variety of spring constants and
resonance frequencies. Our idea is to place two pairs of electrodes,
one for actuation and one for detection on a cantilever made from a
single piece of x-cut quartz. Hence, we would have a self-actuating
self-sensing cantilever [2]. Eigenfrequency and spring constant can be
adjusted by choosing appropriate dimensions. The general concept
of this sensor will be discussed and properties of prototypes will be
presented.
[1] Giessibl, Appl. Phys. Lett. 73, 3956 (1998)
[2] patent pending
O 43.10 (58) Tue 18:30 Poster F
Strategies for measuring interfacial friction by lateral manipulation
of nanoparticles using atomic force microscopy
techniques — •T. Mönninghoff 1 , D. Dietzel 1,2 , L. Jansen 1,3 , H.
Fuchs 1,2,3 , U. D. Schwarz 4 , and A. Schirmeisen 1,2 — 1 Institute
of Physics, University of Münster, Germany — 2 Forschungszentrum
Karlsruhe (FZK), Germany — 3 Center for Nanotechnology (CeN-
Tech), University of Münster, Germany — 4 Department of Mechanical
Engineering, Yale University, New Haven, CT, USA
A promising approach for quantifying interfacial friction is to measure
lateral forces during the manipulation of nanoparticles with the
atomic force microscope. This technique allows addressing many current
issues in the field of nanoscale friction, like the influence of contact
size and interface crystallinity, which are not fully accessible with conventional
friction force microscopy. We present different manipulation
strategies that have been developed to either enable the defined and
repeated manipulation of single nanoparticles or to gather statistical
data on a larger ensemble of particles found within a particular scan
area. Especially the latter approach allows fast and statistically significant
data. In all cases, the particle-surface interfacial friction can be
Tuesday
extracted from the additional torsional signal of the cantilever during
the pushing process in contact mode operation [1]. As a model system
for the demonstration of the different manipulation strategies, antimony
nanoparticles with different diameters and crystallinity grown
on a HOPG substrate have been chosen. [1] Dietzel et al., J. Appl.
Phys.102, 084306 (2007)
O 43.11 (65) Tue 18:30 Poster F
Design of an UHV-STM for applications at low temperatures
and high magnetic fields — Daniel Haude 1 , •Matthias
Menzel 1 , Kirsten von Bergmann 1 , Matthias Bode 2 , and Roland
Wiesendanger 1 — 1 Institute of Applied Physics, University of Hamburg,
Germany — 2 Center for Nanoscale Materials, Argonne National
Laboratory, USA
We constructed a Scanning Tunneling Microscope (STM) for spinpolarized
studies of magnetic adatoms on metallic surfaces. This STM
is mounted in a commercial 3 He-Flow-Cryostat, which allows measurements
in UHV conditions and at a magnetic field up to 9 T perpendicular
to the sample. With 4 He in the gas loop we already reached
a temperature of 1.16 K leading to an estimation of a temperature of
700 mK with 3 He in the cycle. Since the STM is fixed at the bottom
of the cryostat insert, tip and sample are transferred without visibility
using a magnetic drive for linear and rotary motions. The cryostat is
mounted via a transfer chamber to an existing UHV system which has
been described elsewhere [1].
Tips and samples can be transferred throughout the pre-existing
UHV system thus allowing us to investigate the same samples with
different STM’s. With an electron beam evaporator we can deposit
different magnetic materials onto the cold substrate enabling studies
of magnetic properties of single atoms or clusters of few atoms.
[1] O. Pietzsch et al., Rev. Sci. Instrum. 71, 424 (2000)
O 43.12 (76) Tue 18:30 Poster F
Einfluss der elektronischen Struktur der Tunnelspitze auf
spektroskopische Messungen — •Oliver Ferdinand, Kirsten
von Bergmann, André Kubetzka, and Roland Wiesendanger —
Institut für Angewandte Physik, Universität Hamburg, D-20355 Hamburg
Die Raster-Tunnel-Spektroskopie (RTS) misst die lokale differentielle
Leitfähigkeit. Diese ist bei kleinen Spannungen in erster Näherung
proportional zur lokalen Zustandsdichte (LDOS) beider Elektroden,
Probe und Tunnelspitze, und mathematisch eine mit dem Transmissionskoeffizienten
gewichtete Faltung beider LDOS. Gerade wenn der
relevante Bereich um das Fermi-Niveau EF konzentriert ist, wie z.B.
bei Kondo-Systemen oder inelastischen Prozessen, wirken sich daher
Oberfläche und Spitze in gleichem Maße auf die gemessenen Spektren
aus, so dass eine möglichst strukturlose LDOS der Tunnelspitze erforderlich
ist.
Es wird gezeigt, dass sich verschiedene Spitzen-Materialien unterschiedlich
auf die Spektren auswirken. Dazu wurden Wolfram, Iridium
und Gold verwendet und sowohl in-situ als auch ex-situ [1] Präparationsverfahren
ausprobiert.
[1] A. J. Melmed, J. Vac. Sci. Technol. B 9, 601 (1991)
O 43.13 (97) Tue 18:30 Poster F
Spin-dependent Image Potential States Studied By SP-STS
— •Anika Emmenegger, Stefan Krause, Gabriela Herzog, André
Kubetzka, Daniel Haude, and Roland Wiesendanger — Institute
of Applied Physics, University of Hamburg, Germany
An electron approaching a metal surface feels the attractive force of
the polarization charge it induces in the surface region of the solid. If
the surface has a band gap near the vacuum level, the electron gets
trapped by its own image, confined by the surface on the one side
and the slowly decaying Coulombic potential on the other side. These
image-potential induced surface states (IPS) form a Rydberg-like series
close to the vacuum level. Though located relatively far away from
the surface, they are still sensitive to the local elctronic, atomic and
magnetic surface structure.
Consequently, spin-polarized scanning tunneling spectroscopy (SP-
STS) of IPS allows to investigate the magnetic surface properties on a
local scale but at tip-sample distances larger than in normal tunneling
experiments, thereby reducing the probability of accidental tip-sample
collisions [1]. However, STS performed by commercial scanning tunneling
microscopes (STM) is usually limited to a maximum bias voltage of
10V. Going beyond this limit we are able to investigate spin-dependent
IPS of higher order at further increased tunneling distances.
First measurements in a high voltage regime will be presented and

discussed.
[1] A. Kubetzka et al., Appl. Phys. Lett. 91, 012508 (2007).
O 43.14 (144) Tue 18:30 Poster F
Signature of a nanoparticle in the evanescent heat transfer
measured by NSThM — •Uli F. Wischnath, Joachim Welker,
and Achim Kittel — Univ. Oldenburg, Energy and Semiconductor
Research, D-26129 Oldenburg, Germany
The Near-field Scanning Thermal Microscope (NSThM) allows the investigation
of the heat transfer by evanescent fields in the direct vicinity
of a sample that is at a distance between 1 and 100 nm. It is based
on a variable-temperature ultra high vacuum scanning tunneling microscope
(VT-UHV STM) with a probe designed as a thermocouple in
order to measure thermal properties. The STM abilities of the microscope
are used for the spatial control of the temperature probe.
For the work presented here nanoparticles were deposited on a flat
surface by dip coating and scanned with the NSThM in constant current
mode. They show a typical feature in the heat transfer image:
higher values compared to the one on the flats are surrounding the
particles whereas right on top of the particle the values are lower than
the ones on the flats.
These findings might be explained by calculations which have been
made by theoreticians for a similar case: A maximum in the heat transfer
is found for a sphere (representing the probe) scanned in a constant
height over a surface with a sphere on top at the position where the
two spheres start to overlap.
O 43.15 (209) Tue 18:30 Poster F
Dynamic Force Microscopy: Fundamental mechanism of energy
dissipation for organic molecules — •Markus Fendrich 1 ,
Kai Ruschmeier 2 , Christian Weiss 1 , Manfred Lange 1 , Tobias
Kunstmann 1 , André Schirmeisen 2 , and Rolf Möller 1 —
1 Fachbereich Physik, Universität Duisburg-Essen, D-47048 Duisburg
— 2 CeNTech Center for NanoTechnology, Heisenbergstr. 11, D-48149
Münster
In frequency modulation atomic force microscopy (FM-AFM), the
damping signal reveals information about energy dissipation processes
within the tip-sample system with high lateral resolution.[1] However,
the mechanisms of energy dissipation are still not fully understood; especially
for organic molecular systems, few results have been achieved
so far. We present experimental data on the topography and dissipation
of 3,4,9,10 perylene-tetracarboxylic dianhydride (PTCDA) on
Ag(111). The molecules are known to form stable islands at submonolayer
coverage.[2] We achieved molecular resolution in the topography
and the damping signal alike. The damping signal of the
PTCDA molecules shows a sub-molecular contrast, revealing two peaks
at the ends of each molecule. The origin of this dissipation signal is
still under debate; a tip-induced switching of the functional groups of
each molecule might act as a channel for energy dissipation.
[1] S. Morita et al., Noncontact Atomic Force Microscopy, Springer
(2002) [2] K. Glöckler et al., Surf. Sci. 405, 1 (1998)
O 43.16 (288) Tue 18:30 Poster F
Development of an UHV variable temperature STM —
•Thomas Eelbo, Mike Gyamfi, Stefan Meckler, Oswald Pietzsch,
and Roland Wiesendanger — Institute of Applied Physics
and Microstructure Advanced Research Center Hamburg, University
of Hamburg, Jungiusstraße 11, 20355 Hamburg, Germany
The design of a new VT-STM is presented together with a numerical
simulation for the temperature behaviour of the system. The microscope
will be installed into a two chamber ultra high vacuum system for
studying local electronic and magnetic states of self-assembled nanostructures
at atomic length scale.
The microscope is equipped with an inertial drive for Slip-Stick
based tip-coarse approach. A mechanism for in-situ tip and sample
exchange has been integrated, being crucial for spin polarized experiments
using magnetically coated tips.
During the development of the microscope special attention was paid
on the minimization of the base temperature. Therefore a numerical
simulation was written, which describes the thermal anchoring of various
parts to the flow cryostat and the chamber system.
O 43.17 (296) Tue 18:30 Poster F
A New Scanning Tunneling Microscope for Spin-Sensitive
Measurements in Ultrahigh Vacuum, at Low Temperatures,
and in High Magnetic Fields — •Mike Gyamfi, Stefan Meckler,
Oswald Pietzsch, and Roland Wiesendanger — Institute of Ap-
Tuesday
plied Physics and Microstructure Advanced Research Center Hamburg,
University of Hamburg, Jungiusstrasse 11, 20355 Hamburg, Germany
To study the spin dependent local electronic structure of single magnetic
nanowires and nanoislands a new scanning tunneling microscope
with spin sensitivity has been developed.
The microscope is operated in a liquid helium bath cryostat with a
base temperature of 5K and a superconducting magnet that provides
a magnetic field in arbitrary direction to the sample. It is equipped
with an inertial drive for tip coarse approach and an additional one
for sample rotation. The latter one allows the preparation of samples
directly in the microscope at cryogenic conditions. Furthermore, a tip
exchange mechanism has been integrated that enables spin dependent
measurements with magnetically coated tips.
The microscope, the ultrahigh vacuum system with the magnet cryostat,
and first measurements are presented to demonstrate the functionality
of the recently installed system.
O 43.18 (297) Tue 18:30 Poster F
Interferometric detection methods for scanning near-field optical
microscopy — •Christoph Zeh, Susanne C. Schneider, and
Lukas M. Eng — Institute of Applied Photophysics, TU Dresden,
D-01062 Dresden
Scanning near-field optical microscopy (SNOM) is a scanning probe
technique which allows optical examination of nanostructures with a
resolution ways below the classical diffraction limit. Hence, it finds
many applications in nano science. Basically, there are two types of
SNOM: the aperture-type, utilizing a tapered optical fibre for local
illumination and/or detection, and the (apertureless) scattering type,
in which light is scattered from a small particle, e.g. an AFM tip.
Both types suffer from weak signal strengths, due to coupling losses
at the fibre tip, or due to the small scattering cross sections. In order
to amplify the optical near field signal, detection systems based
on heterodyne or homodyne interferometry are very appropriate. Furthermore,
the heterodyne detection method allows us to separate the
near field’s optical amplitude and phase, since the near-field signal is
compared with a well known, but frequency shifted, reference signal. In
this work we compare interferometric detection schemes with respect
to their resolution limit and signal-to-noise ratio, for both free-beam
version as well as fibre-based version.
O 43.19 (331) Tue 18:30 Poster F
Eddy current microscopy — •Marion Meier, Tino Roll, and
Marika Schleberger — Universität Duisburg-Essen, Fachbereich
Physik, Lotharstraße 1, D-47048, Germany
Eddy current microscopy (ECM) provides a unique method to gain
qualitative insight into the local electrical conductivity of nano structures.
ECM is based on the well established method of non-contact
scanning force microscopy. The basic principle is as follows: Either the
time-dependent magnetic field of an oscillating magnetic probe induces
eddy currents within conducting materials or the magnetic stray fields
of magnetic domains induce eddy currents within a conducting probe.
In any case, the induced currents lead to an electrodynamic interaction
between the probe and the sample. Therefore, the oscillation of
the probe is damped according to Lenz’s rule, leading to a contrast
in either the phase or in the damping signal. This technique, thus,
provides standard force microscopy with a material sensitive contrast
in addition to the conventional topography signal. Since not much
is known yet about the experimental limitations of the technique, we
used several reference samples such as magnetic recording tapes, conducting
wires written by e-beam lithography, and SNOM samples. The
latter samples offer the advantage of a high difference in conductivity.
We will present results from ex situ as well as from in situ measurements.
The method will be applied to nanostructured samples such as
thin films and metallic islands on silicon, in order to characterize the
influence defects and size effects on the resistivity.
O 43.20 (333) Tue 18:30 Poster F
High-Resolution Combined Low-Temperature Scanning Tunneling/Atomic
Force Microscope for 3D Force Spectroscopy
— Boris J. Albers 1 , Todd Schwendemann 1 , Mehmet Z.
Baykara 1 , Nicolas Pilet 1 , •Marcus Liebmann 1 , Markus Heyde 2 ,
and Udo D. Schwarz 1 — 1 Deptartment of Mechanical Engingeering,
Yale University, New Haven, USA — 2 Lawrence Berkeley National
Laboratory, University of California, Berkeley, USA
We present the design and first results from a new home-built lowtemperature
scanning probe microscope enabling high-resolution ex-

perimentation in both scanning tunneling microscopy (STM) and noncontact
atomic force microscopy (NC-AFM) modes. An exchangeable
tuning fork based Q-plus style sensor is used to allow for flexibility in
choosing probe tip materials. The system features an on-top cryostat,
where the microscope is enclosed in a double set of thermal shields.
Tip as well as sample can be changed in-situ at low temperatures to
keep turn-around times low. By opening the front shutters of the
shields, unrestricted access from dedicated flanges permits the direct
deposition of molecules or atoms on either tip or sample while they remain
cold. As examples for the microscope’s performance, we present
data measured on Cu(111) in STM mode as well as on graphite in
NC-AFM mode, featuring atomic resolution with corrugations of 4-
5 pm and corrugations below 1 pm could be measured. In addition,
atomic resolution data obtained by means of three-dimensional force
spectroscopy is shown.
O 43.21 (334) Tue 18:30 Poster F
Energy dissipation of ballistic injected electrons and holes
through individual molecules — •Alexander Bernhart 1 ,
Mark Kaspers 1 , Bastian Weyers 1 , Evgeny Zubkov 1 , Christian
Bobisch 2 , and Rolf Möller 1 — 1 Department of Physics, University
of Duisburg-Essen, 47048 Duisburg, Germany — 2 University of
California, Irvine, USA
Ballistic Electron Emission Microscopy (BEEM) not only represents an
ideal technique to study the electronic transmission at the Schottkyinterface
between a metal and a semiconductor, but moreover it allows
to analyze the ballistic transport through adsorbates on top of a metal.
Bismuth (Bi) films with a thickness of 3-4nm were grown on n-doped
and p-doped Si(100) and Si(111). Recently we could analyze the ballistic
transport of electrons through two different molecular adlayers,
PTCDA and C60, deposited on top of the Bi film. In addition the
ballistic transport of holes through an adlayer of C60 was studied. All
experiments were performed by a modified ”Nanoprobe”system (Omicron)
providing four STM units which may be operated independently
on the same sample. In this case one STM unit was used to contact
the metal layer, and other one is operated as a conventional STM at
negative or positive tip bias, hence injecting electrons or holes into the
sample surface.
O 43.22 (378) Tue 18:30 Poster F
surface velocity of shear quartzes for high speed friction
measurements — •fengzhen zhang 1 , othmar marti 1 , stefan
walheim 2 , and thomas schimmel 2 — 1 Uni Ulm — 2 Uni Karlsruhe/FZK
Investigations of the friction properties with the relative low
speeds(micrometer/s) have been carried out with Atomic Force Microscopy(AFM).
Technologically relevant friction processes operate at
speeds of several m/s. Due to the limitation of the piezo scanners in
standard AFM, a new oscillation setup is required for the microscopic
research on high speed friction. We have measured the surface velocity
of shear quartzes. In this presentation we show the calibration setup
and results of the surface speed for 3MHz quartzes. We discuss the
influence of surface inhomogeneities on the accuracy of the velocity
measurement. As a first application we present friction measurements
obtained on structured films deposited on shear quartzes.
O 43.23 (386) Tue 18:30 Poster F
Scanning tunneling microscopy measurements of graphene on
an insulating substrate. — •Viktor Geringer 1 , Sven Runte 1 ,
Marcus Liebmann 1 , Tim Echtermeyer 2 , Reinhard Rückamp 1 ,
Max Lemme 2 , and Markus Morgenstern 1 — 1 II. Physikalisches Institut,
RWTH Aachen and JARA-FIT, Otto-Blumenthal-Straße, 52074
Aachen — 2 Advanced Microelectronic Center Aachen (AMICA), AMO
GmbH, Otto-Blumenthal-Str. 25, 52074 Aachen
We present scanning tunneling microscopy (STM) measurements of
single and few layer graphene examined under ultrahigh vacuum conditions.
The samples were prepared on a silicon dioxide surface by mechanical
exfoliation of a graphite crystal and contacted by depositing
gold electrodes around the graphene flake. An instrumental challenge
in STM investigations of small graphene flakes is the tip positioning
with respect to the sample. We solved this technical problem by using
an optical long-distance microscope and a x-y-positioning drive for the
STM sample stage. A lateral pre-positioning precision of 5-10 µm has
been achieved.
We show atomically resolved and large-scale topographic images of
the graphene surface as well as first scanning tunneling spectroscopy
(STS) results.
Tuesday
O 43.24 (403) Tue 18:30 Poster F
A UHV-STM system for measurements at 300 mK and 14 T
— •Stefan Becker, Marcus Liebmann, and Markus Morgenstern
— II. Physikalisches Institut B, RWTH Aachen and JARA-FIT, Otto-
Blumenthal-Straße, 52074 Aachen
We have designed an ultrahigh vacuum (UHV) system featuring a
homebuilt scanning tunnelling microscope (STM) inside of a 300 mK
cryostat with a 14 T solenoid magnet exhibiting a single-shot time of
100 h. Two independent chambers hold various instruments for sample
and STM tip preparation, including sample heaters, a sputter gun,
evaporators and a combined LEED/Auger system. The STM body
is compact and rigid (Ø 30 mm) for stability and high resonance frequencies.
It has an in situ tip exchange mechanism and a sample
positioning stage. The whole system is supported by air damping legs
inside an acoustically insulating room.
O 43.25 (414) Tue 18:30 Poster F
Development of TERS System with Scanning Capability —
•Seth White, Dietrich Wulferding, Alexander Doering, Hongdan
Yan, Pushpendra Kumar, and Peter Lemmens — IPKM, TU-
Braunschweig
The combination of Tip-Enhanced Raman Spectroscopy with real-time
surface characterization in one experimental setup shows great promise
as a method for precise local measurement of spatially confined systems.
After employing an AFM with an etched [1] nano-apex scanning
tip made of Ag or Au[2] to gain structural information one can immediately
use the same tip to substantially increase Raman activity at a
particular point of interest. Single molecules trapped near the surface
of nano-porous oxidized silicon and alumina can be investigated using
this finely tunable, highly directed approach.
O 43.26 (460) Tue 18:30 Poster F
Use of a “needle-sensor” for non-contact scanning force
microscopy and simultaneous measurement of the tunneling
current — Bert Voigtländer 1 and •Irek Morawski 1,2 —
1 Institute of Bio- and Nanosystems (IBN 3), and cni – Center of Nanoelectronic
Systems for Information Technology, Research Centre Jülich,
52425 Jülich, Germany — 2 Institute of Experimental Physics, University
of Wroc̷law, pl. Maxa Borna 9, PL 50-204 Wroc̷law, Poland
A simultaneous measurement of forces and tunneling current during
imaging of surfaces is of great interest. We present AFM/STM images
of graphite and metal surface obtained by means of the quartz needlesensor
with an attached tungsten tip at ambient conditions. The needle
sensor is an extensional mode quartz oscillator operating at a frequency
of 1 MHz and one is similar to a tuning fork sensor more frequently
used in scanning force microscopy. This sensor has been operated with
a phase locked loop (PLL) control extended with an additional electronic
circuit, namely an attenuator, two band-pass amplifier stages,
providing both: sub-angstroms mechanical oscillation amplitude and
high signal/noise ratio. Dependences of the frequency shift against
a tip-surface displacement measured for mentioned surfaces are presented.
A ”feedback circuit enabled”method of a calibration of the
needle-sensor vibration amplitude is proposed and discussed.
O 43.27 (521) Tue 18:30 Poster F
Construction of a Fibre-Tip SNOM for Investigation of
Soft Organic Materials — •Philipp Lange 2 , Omar Al-Khatib 1 ,
Dörthe M. Eisele 1 , Mario Dähne 2 , Jürgen P. Rabe 1 , and Stefan
Kirstein 1 — 1 HU-Berlin, Institut für Physik, Newtonstr. 15, 12489
Berlin — 2 TU Berlin, Institut für Physik, Hardenbergstr. 36, 10623
Berlin
The setup of a fibre-tip scanning near field optical microscope (SNOM)
is presented that was specially designed for the investigation of soft organic
materials in air providing low tip-sample interaction, low thermal
drift, and high topographic resolution. For topographic scanning the
shear force of a fibre probe is detected. For this a tapered glass fibre
probe is mounted on a tuning fork piezo which is forced to oscillate
above the resonance frequency. The phase shift induced by the tuning
fork is taken as a sensitive signal for damping of the tip oscillation due
to tip-sample interaction and used for distance control. A dye laser is
coupled into the fibre for near field optical excitation of the sample.
The scanning unit is mounted on top of an inverted fluorescence microscope
that allows comfortable adjustment and micro-positioning of tip
and sample, preselection of scan areas of prior interest, and very efficient
far-field detection of the luminescence. First images of fluorescent

nano-particles and dye aggregates on solid surface are presented.
O 43.28 (587) Tue 18:30 Poster F
The nanoscale electrochemical potential of a current carrying
surface state resolved with Scanning Tunneling Potentiometry
— •Jan Homoth 1 , Martin Wenderoth 1 , Thomas Druga 1 ,
Lars Winking 1 , Rainer G. Ulbrich 1 , Mark Kaspers 2 , Alexander
Bernhart 2 , Bastian Weyers 2 , Evgeny Zubkov 2 , Rolf Möller 2 ,
and Christian Bobisch 3 — 1 IV. Physikalisches Institut, Georg-
August-Universität Göttingen — 2 University of Duisburg-Essen, Department
of Physics, Duisburg, Germany — 3 University of California,
Irvine, USA
Charge transport through the surface state of the Si(111) √ 3 · √ 3 − Ag
surface has been investigated with a lateral resolution of Angstroms.
Across line defects like monatomic terrace steps the electrochemical potential
µec(x, y) varies strongly. Transport across such defects occurs
as tunneling through a quantum mechanical barrier. We demonstrate
that the variation in µec responds linearly to the applied current density
and does not depend on the local current direction. Furthermore,
the variation of µec does not coincide with the topography data: A
lateral shift is observed and the widths differ. Using a variety of tip
configurations we analyze the experimental widths and lateral shifts in
detail. Comparing these results with STM-calculations, we conclude
that the change of µec is unaffected by tip convolution artefacts and
cannot be described with a step-like change in µec. A qualitative model
describing the spatially dependent electron distribution and the variation
of µec is derived, extending the early approach of Datta. This
work was supported by the DFG, SFB 602 Tp A7.
O 43.29 (609) Tue 18:30 Poster F
Analyzing and determination of the different shear force interactions
— •Kai Braun, Catrinel Stanciu, Dai Zhang, and
Alfred J. Meixner — Institut für Physikalische und Theoretische
Chemie, Auf der Morgenstelle, 72076 Tübingen
Shear-force feedback is among the most common used mechanisms for
distance control in scanning near-field optical microscopes (SNOM).
A reliable SNOM measurement requires extremely precise tuning of
the distance between the tip and the sample. Although being widely
used, the nature of the shear-force interaction is still not fully understood.
The oscillating probe is usually modelled as a driven harmonic
oscillator, influenced by different forces due to the interaction of the
tip with the sample. We present here an extensive study of this interactions
for different combinations of substrates (Au, Si, HOPG and
glass) and tips (Au, W and glass). We measured the amplitude and
phase of the tip oscillation as a function of the tip-sample distance
in the non-contact range. The measurements allow us to distinguish
the different forces between the tip and the substrate. The dominating
nature of the interactions strongly depends on the material of both the
tip and the substrate and also with the distance. In particular, gold
tips on gold samples, of actual interest in tip-enhanced microscopy, undergo
mainly elastic interaction for larger distances, with an attractive
component evident for smaller distances. These results can help for a
better understanding of optical near-field measurements, in particular
for avoiding artefacts when measuring heterogeneous samples.
O 43.30 (617) Tue 18:30 Poster F
Design of a vacuum system for the local study of molecules
— •Matthias Prostak, Germar Hoffmann, and Roland Wiesendanger
— Institute of Applied Physics, University of Hamburg
Molecules are a fascinating class of materials and have a large potential
impact for the design of novel, molecule-based devices. One major
advantage is the possibility of low temperature preparation in industrial
processes. Therefore, the precise control of growth parameters
is relevant for the preparation of clean and homogeneous molecular
structures.
Here, we will present the design of a new, very versatile and compact
vacuum system for such a preparation study. The vacuum system is
equipped with a scanning tunneling microscope, a LEED optics and an
Auger spectrometer for surface analysis. In this vacuum system, flexible
exchange of molecule evaporators through the load-lock and the
preparation of metal-insulator-molecule sandwiches is possible. Since
commercially available samples of molecules are often not sufficiently
clean for high-quality investigations, the vacuum system is additionally
equipped with an extra side chamber to degas molecular samples
for purification over several hours and days. We will discuss the design
and the first realization.
Tuesday
O 43.31 (626) Tue 18:30 Poster F
Towards a quantitative determination of charge distribution
and local potential by Phase-Electrostatic Force Microscopy:
theory and applications — •Cristiano Albonetti, Paolo Annibale,
and Fabio Biscarini — CNR-Institute for the Study of Nanostructured
Materials (ISMN), Bologna, Italy
The cantilever phase signal of the atomic force microscope, in conjunction
to lift-mode operation, is used to map the electrostatic interaction
between the cantilever’s tip and the sample with a lateral resolution
less than 50 nm. The detection of the phase, sensitive to tip-sample
force gradient, allows to gain a higher resolution with respect to more
conventional electrostatic probes based on force detection. Relevant organic
and inorganic samples, with well-defined morphology, were measured
by modeling the tip-sample electrostatic interaction in the prolate
spherical coordinates reference system. Layered α-sexithiophene
ultra-thin films grown on Si/SiOx substrate show a monotonic decrease
of the local surface potentials with the increase of the surface coverage,
consistently with the predicted confinement at the first few monolayers
of the charge accumulation layer (organic sample). Silicon oxide
nano-stripes, made by scanning probe lithography, show a variable
electrostatic contrast due to a different amount of charges trapped in
the oxide, thus yielding significant information about the mechanism
of the oxidation process (inorganic sample). The application of this
technique to operating thin film organic field effect transistors allows to
correlate local surface potential with the morphology of the transistor
channel.
O 43.32 (649) Tue 18:30 Poster F
Design criteria for scanning tunneling microscopes to reduce
the response to external disturbances — •Maximilian Assig 1 ,
Alexandra Ast 2 , Christian R. Ast 1 , and Klaus Kern 1 — 1 MPI
für Festkörperforschung, Stuttgart, Germany — 2 ITM, Universität
Stuttgart, Germany
In a scanning tunneling microscope (STM) the tip-sample distance is
the crucial aspect of the measurement process as the tunneling current
depends on it exponentially. Since it is a priori impossible to
distinguish in the tunneling current the actual signal from external
disturbances, care must be taken to isolate the measurement setup as
effectively as possible from the outside environment. Here we present
an approach to reduce the response of the tip-sample distance to external
disturbances, which are unwanted in the tunneling current. The
idea is to optimize the design of the STM itself, so that the response of
the tip and the sample to external disturbances is minimized. A design
criterion has been developed based on experimental measurements of
the tip-sample transfer function as well as a simple theoretical model.
O 43.33 (463) Tue 18:30 Poster F
The x-ray experimental endstation of beamline BL9 at
DELTA — •Michael Paulus, Christian Sternemann, Christina
Krywka, Andreas Schacht, and Metin Tolan — Experimentelle
Physik I/DELTA, Technische Universität Dortmund, Maria-Goeppert-
Mayer Str.2, 44221 Dortmund, Deutschland
The Dortmund Electron Accelerator DELTA is a synchrotron radiation
source located at the TU Dortmund, Germany, and is operated a
1.5 GeV with a maximum electron current of 120 mA and lifetimes of
about 10 hours. The beamline BL9 is attached to a superconducting
asymmetric wiggler which supplies radiation in the energy range between
4 keV and 30 keV. The incident radiation is monochromatized
by means of a Si (311) double crystal monochromator with sagittally
bend second monochromator crystal. The experimental endstation of
BL9 is equipped with a Huber six-circle diffractometer and is dedicated
to (grazing incidence) x-ray diffraction and x-ray reflectivity studies on
solid surfaces, thin films and liquid - solid interfaces. Recently, the end
station was extended to perform small and wide angle x-ray scattering
experiments making use of an image plate scanner. Moreover, a
spectrometer in Rowland geometry is accessible to perform resonant
inelastic x-ray scattering experiments.
O 43.34 (635) Tue 18:30 Poster F
Positron annihilation induced Auger electron spectroscopy
on Si single crystals — •Jakob Mayer 1 ,
Klaus Schreckenbach 1,2 , and Christoph Hugenschmidt 1,2 —
1 Technische Universität München, Physikdepartment E21, James-
Franck-Str., 85748 Garching — 2 ZWE FRM II, Lichtenbergstr.1,
85747 Garching
Positron annihilation induced Auger electron spectroscopy (PAES) is a

powerful technique for the element selective investigation of surfaces.
Due to the different hole creation process compared to conventional
EAES, i.e. ionisation by means of positron electron annihilation instead
of collision, the impact energy of the positrons can be chosen
very low and hence the secondary electron background ends at this
low energy. Furthermore only the topmost atomic layer is examined,
due to the positron diffusion back to the surface. The main challenge
in PAES is the low positron current, which is on the order of pA.
Even at the high intensity positron source NEPOMUC at the FRM
II the measurement times are on the order of hours. In order to reduce
the acquisition time a new electron energy analyser with a higher
efficiency has been installed. First measurements on polycrystalline
Cu and Si single crystals will be presented and compared to previous
measurements.
O 43.35 (657) Tue 18:30 Poster F
Order-N scaling of the Full-potential Linearized Augmented
Plane Wave method — •Frank Freimuth, Daniel Wortmann,
and Stefan Blügel — Institut für Festkörperforschung,
Forschungszentrum Jülich, 52425 Jülich, Germany
Density functional theory codes based on the Full-potential Linearized
Augmented Plane Wave (FLAPW) method have been highly successful
due to their generality and wide applicability. In particular, in the
field of surfaces, open structures and complex magnetic materials with
many chemical elements, the FLAPW method sets the standart for
precision among the ab initio methods. On the other hand, the computational
effort of the FLAPW method is relatively high, obeying a
cubic scaling law with system size, making the applicability to larger
systems increasingly more difficult.
We will present new ideas to combine the Green-function embedding
method and the transfer-matrix formalism [1] with the LAPW basis
set to construct a computer code with a (roughly) linear scaling of the
computational effort with increase of system size in one dimension.
The total problem is decomposed into layers which can be calculated
individually and are joint together with the help of the embedded
Green function technique. This opens new perspectives in the calculation
of complex nanoferronic junctions. Support by the DFG-SPP
1243 is gratefully acknowledged.
[1] D. Wortmann, H. Ishida, and S. Blügel, Phys. Rev. B 66, 075113
(2002).
O 43.36 (189) Tue 18:30 Poster F
Topology-dependent life-time of surface states — •Koray
Köksal and Jamal Berakdar — Institut für Physik, Martin-Luther-
Universität Halle-Wittenberg, Heinrich-Damerow-Str. 4, D-06120
Halle(Saale), Germany
On the ground of analytical and numerical calculations we show that
the life time of surface states of noble metals can be tuned by the appropriate
topology of surface. Results are presented for curved Cu(111)
surface. We also discuss how the predicted effect can be realized experimentally
and measured by means of scanning tunneling spectroscopy
[1] and two-photon photoemission [2,3].
[1] L. Limot, E. Pehlke, J. Kröger, and R. Berndt, Phys. Rev. Lett.
94, 036805 (2005)
[2] R. W. Schoenlein, J. G. Fujimoto, G. L. Eesley, and T. W. Capehart,
Phys. Rev. Lett. 61, 2596 (1988)
[3] A. Winkelmann, F. Bisio, R. Ocaña, W.-C. Lin, M. N´yvlt, H. Petek,
and J. Kirschner, Phys. Rev. Lett. 98, 226601 (2007)
O 43.37 (335) Tue 18:30 Poster F
Multilayer-Optiken für die fs-Röntgendiffraktometrie —
•Jörg Wiesmann und Carsten Michaelsen — Incoatec GmbH,
Geesthacht, Germany
An mehreren Orten auf der Welt befinden sich gepulste Synchrotron-
Röntgenquellen im Bau, so genannte Freie Elektronen Laser. In Vorbereitung
hierauf beschäftigt sich eine zunehmende Zahl von Forschergruppen
mit vorbereitenden Laborexperimenten, wobei lasergenerierte
Plasmaquellen zur Erzeugung von gepulster Röntgenstrahlung im sub-
Pikosekunden Bereich verwendent werden. Derartige Laborquellen erfordern
die Entwicklung von Röntgenoptiken, die auf der einen Seite
ein großes Lichtsammelvermögen besitzen, und die auf der anderen
Seite die Brillanz und die Zeitstruktur der Röntgenstrahlung aufrechterhalten.
In diesem Beitrag werden verschiedene Röntgenoptiken im
Hinblick auf diese Erfordernisse anhand jüngster experimenteller Ergebnisse
vorgestellt.
O 43.38 (342) Tue 18:30 Poster F
Tuesday
An XUV- Split and Delay Line at the Free Electron
Laser in Hamburg — •Torben Beeck 1 , Mitsuru Nagasono 1,2 ,
Holger Meyer 1 , Sven Gieschen 1 , Martin Beye 1 , William F.
Schlotter 1 , Florian Sorgenfrei 1 , Alexander Föhlisch 1 , and
Wilfried Wurth 1 — 1 Institut für Experimentalphysik Universität
Hamburg, Germany — 2 XFEL Project Head Office, RIKEN, Hyogo,
Japan
At the Free Electron Laser in Hamburg (FLASH) we are integrating a
soft x-ray beam split and delay line to the plane grating monochromator
beamline (PG2). This system will enable pump-probe spectroscopy
of ultrafast dynamics. Pulse to pulse timing jitter is circumvented by
the controlled synchronisation of the delay line. The wavefront of the
incoming beam is divided by illuminating the edge of a mirror. By controlling
the optical path length for each beam, pulse delays as short as
10 fs or as long as 20 ps can be generated.
The system employs four mirrors to split and mix the beam and four
mirrors to control the delay. Each mirror is a silicon single crystal with
a diamond like carbon coating. The four delay mirrors are arranged
at grazing incidence forming a parallelogram. Together with the beam
splitters this forms an adjustable path Mach-Zehnder interferometer.
For stability the delay mirrors are fixed to a rigid support structure.
Simply translating the structure imparts a delay between the pulses.
This work is supported by the BMBF in the framework of the
Forschungsschwerpunkt 301, ”FLASH: Matter in the light of ultrafast
and extremely intense x-ray pulses”.
O 43.39 (419) Tue 18:30 Poster F
Transient surface temperature of ultralthin Bi(111) heterolayers
on Si(001) upon fs-laser excitation — •Anja Hanisch,
Boris Krenzer, Simone Möllenbeck, Tobias Pelka, Paul Schneider,
and Michael Horn-von Hoegen — Department of Physics, Universität
Duisburg-Essen, D- 47048 Duisburg, Germany
The transient temperature rise of ultrathin epitaxial Bi(111) films
on Si(001) substrates upon excitation with fs-laser pulses is studied
by ultrafast time resolved reflection high energy electron diffraction
(RHEED). Spot intensities taken at different time delays between
pumping laser pulses and probing electron pulses are converted to the
transient surface temperature using the Debye-Waller Effect.[1]
A rapid increase of the surface temperature from 80 K up to 190 K
is followed by a slow exponential decay with a time constant of 640
ps for a 5.5 nm thin Bi film.[2] The slow cooling is determined by the
thermal boundary resistance at the interface between Bi and Si. We
observe a linear dependence of the decay constant with the film thickness
for films thicker than 6 nm, which is in agreement with the general
theory of the thermal boundary resistance. In contrast films thinner
than 6nm show an enhanced thermal boundary resistance with a decay
constant up to two times larger than expected. In order to explain
this deviation, we suggest that for thinner films the discretisation of
the phonon dispersion compared to the bulk-like behaviour of thicker
films plays an important role.
[1] A. Janzen et al., Rev. Sci. Inst. 78, 013906 (2007).
[2] B. Krenzer et al., New J. Phys. 8, 190 (2006).
O 43.40 (546) Tue 18:30 Poster F
Influence of Laser Heating on the X-ray Diffraction Intensity
of InSb — •Jessica Walkenhorst, Eeuwe S. Zijlstra, and Martin
E. Garcia — Theoretische Physik, Fachbereich Naturwissenschaften,
Universität Kassel, Heinrich-Plett-Str. 40, 34132 Kassel
Hillyard et al. have measured the x-ray diffraction intensity of the
(111) peak of InSb after intense laser excitation, which provides insight
in the first stages of laser-induced ultrafast melting. They found that
the diffraction peak follows a Gaussian decay. This time-dependence
has been analyzed using the Debye model for the atomic vibrations, assuming
the laser heating to produce a uniform softening of all phonon
frequencies. We performed (i) first principle electronic structure calculations,
(ii) molecular dynamic simulations to calculate the phonon
frequencies at the Γ-, X- and L-point and the resulting x-ray intensity.
We found, that dramatic phonon softening does not occur at all the
investigated k-points but instead the softening of the transverse acoustic
phonons at the X-point suffices to explain the measured Gaussian
x-ray intensity decay and perfectly reproduces the decay’s measured
time constant.
O 43.41 (630) Tue 18:30 Poster F
Time-, energy- and ANGLE-resolved photoelectron spectroscopy
of surface dynamics using femtosecond XUV pulses
— •Stefan Mathias 1 , Luis Miaja-Avila 2 , Margaret Murnane 2 ,

Henry Kapteyn 2 , Martin Aeschlimann 1 , and Michael Bauer 3
— 1 Department of Physics, TU Kaiserslautern, 67663 Kaiserslautern,
Germany — 2 JILA, University of Colorado, Colorado 80309-
0440, USA — 3 Institut für Experimentelle und Angewandte Physik,
Christian-Albrechts-Universität zu Kiel, Germany
The angle resolved photoelectron spectroscopy (ARPES) has emerged
as a leading technique in identifying static key properties of complex
systems such as adsorbed molecules, ultrathin quantum-well films or
high temperature superconductors. We present an experimental setup
combining the ARPES technique with a pump-probe scheme for timeresolved
measurements using a 1 kHz femtosecond XUV source [1].
The performance of the system with respect to time-, energy- and
momentum-resolution will be discussed on the basis of ARPES spectra
recorded with ultra short photon pulses of an energy of 42 eV.
Furthermore, the potential of time-resolved ARPES to study surface
dynamics in future experiments is considered.
[1] S. Mathias, L. Miaja-Avila, M. Murnane, H. Kapteyn, M. Aeschlimann,
M. Bauer, Rev. Sci. Instrum. 78, 083105 (2007)
O 43.42 (357) Tue 18:30 Poster F
first test of a beam splitter and delay line for the XUV at
FLASH — •Rolf Mitzner 1 , Björn Siemer 1 , Marco Rutkowski 1 ,
Sebastian Roling 1 , Matthias Neeb 2 , Tino Noll 2 , Kai Tiedtke 3 ,
Wolfgang Eberhardt 2 , and Helmut Zacharias 1 — 1 Physikalisches
Institut, Westfälische Wilhels-Universität, 48149 Münster — 2 BESSY
GmbH, Albert Einstein Str. 15, 12489 Berlin — 3 HASYLAB, DESY,
22603 Hamburg
In order to do jitter-free X-ray pump and probe experiments at the
Free Electron Laser in Hamburg (FLASH) as well as to characterize
the temporal structure of its high power pulses a novel beam splitter
and delay unit (autocorrelator) has been designed and constructed [1].
Based on geometrical beam splitting by a mirror edge the apparatus
covers the XUV energy range up to photon energies of 200 eV providing
a total delay of about 20 picoseconds with femtosecond resolution.
Using 13.5 nm radiation from the FEL the beam has been split in
two beams delayed to each other. The shape of the split beams as
well as its fluctuations has been recorded for different delays up to
several picoseconds. Overlapping the split beams under a small angle
10 m behind the autocorrelator lateral interference fringes have been
observerved at zero delay between the two beams. When changing the
path difference the fringes have been disappeared thus demonstrating
the proper function of the delay line in the XUV. The visibility of the
fringes as a function of the delay (path length difference) should allow
the direct determination of the average coherence time of the FEL
pulses. [1] R. Mitzner et.al., Proc. Of SPIE 592000D (2005)
O 43.43 (507) Tue 18:30 Poster F
A femtosecond X-ray/optical cross-correlator: Free-electron
laser X-ray pulse induced transient optical reflectivity —
•Cornelius Gahl 1,4 , Armin Azima 3 , Martin Beye 2 , Martin
Deppe 2 , Kristian Döbrich 1 , Urs Hasslinger 2 , Franz Hennies 2,5 ,
Alexej Melnikov 1 , Mitsuru Nagasono 2 , Annette Pietzsch 2 ,
Martin Wolf 1 , Wilfried Wurth 2 , and Alexander Föhlisch 2 —
1 Fachbereich Physik, Freie Universität Berlin — 2 Institut für Experimentalphysik,
Universität Hamburg — 3 HASYLAB/DESY, Hamburg
— 4 Max-Born-Institut Berlin — 5 MAX-lab, Lund Universitet, Sweden
Due to their short pulse duration and high brilliance over a wide range
of photon energies free-electron-laser (FEL) based femtosecond x-ray
pulse sources make possible completely new classes of experiments.
Since it is extremely difficult to precisely synchronize a FEL with
an external femtosecond laser source, one has to measure the relative
arrival time of x-ray and optical pulse to perform pump-probe
experiments with optimal time resolution. At the Free-Electron-Laser
in Hamburg (FLASH) we exploited the high peak brilliance for this
purpose by measuring the x-ray induced transient change in optical
reflectivity at a GaAs surface. The ultrafast drop in reflectivity on the
time scale of the pulse duration enables us to determine the temporal
overlap of x-ray and optical pulses as well as the statistical timing jitter
and a systematical drift within a pulse train. Therefore this easy to
implement technique denotes an important step towards delay control
for femtosecond time-resolved experiments and opens up the field of
femtosecond X-ray induced dynamics.
O 43.44 (222) Tue 18:30 Poster F
Tuesday
An angle-resolved time-of flight spectrometer for low-energy
photoelectron spectroscopy — •Laurenz Rettig, Patrick S.
Kirchmann, Uwe Bovensiepen, and Martin Wolf — Freie Universität
Berlin, Fachbereich Physik, Arnimallee 14, 14195 Berlin
We developed and constructed a two-dimensional position-sensitive
time-of-flight spectrometer (pTOF) for the angle-resolved analysis of
low-energy electrons photoemitted from a metal surface by femtosecond
laser pulses. The spectrometer design combines a field-free drift
tube with 22 ◦ acceptance angle and a microchannel plate stack with
a delay-line anode [1] for position encoding. The pTOF spectrometer
allows to determine both surface in-plane electron momentum components
px and py along with the kinetic energy. The pTOF concept
is optimized to study the electron scattering dynamics of laterally
anisotropic electronic systems such as self-assembled quasi-1D atomic
nano-wires or stepped surfaces.
Here, we present the working principles as well as the hard- and software
implementation of the pTOF, which includes real-time analysis of
multiple electron hits per laser pulse. This multihit capability is crucial
for pulsed laser spectroscopy with repetition rates of ∼ 100 kHz.
To demonstrate the performance of the spectrometer measurements
on a Cu(111) single-crystalline surface were performed using UV femtosecond
laser pulses of 6.20 eV photon energy.
[1] O. Jagutzki, A. Cerezo, A. Czasch, et al., IEEE Trans. Nucl. Sci.
49, 2477 (2002).
O 43.45 (363) Tue 18:30 Poster F
Spectral Line Shape Variations in Time-Resolved Photoemission
from a Solid — E.E. Krasovskii 1,2 , •Karsten Balzer 2 ,
Sebastian Bauch 2 , and Michael Bonitz 2 — 1 Insititute of Metal
Physics, National Academy of Science of Ukraine, 03142 Kiev, Ukraine
— 2 Institut für Theoretische Physik und Astrophysik, Christian-
Albrechts-Universität Kiel, Leibnizstrasse 15, 24098 Kiel, Germany
Time resolved photoemission with (sub)femtosecond UV pulses is of
hight current interest [1] and is, here, studied by solving the timedependent
Schrödinger equation for a one-dimensional model crystal
[2]. Without the laser field the shape and the energy location of the
spectrum is determined by the energy dependence of photoemission
cross section. In the presence of the laser field, the time growth of
the population of the final state is predicted to cause extremely sharp
variations of spectral width as a function of release time. This can help
enhance resolution of the measurements. A simple phenomenological
model to describe the line shape is proposed and shown to accurately
reproduce the numerical results.
[1] M. Hentschel et al., Nature 414, 509 (2001).
[2] E.E. Krasovskii, and M. Bonitz, accepted for publication in Phys.
Rev. Lett. (2007).
O 43.46 (539) Tue 18:30 Poster F
Spin-dependent electron lifetimes in 3d ferromagnet thin films
— •Andreas Goris 1,3 , Ilja Panzer 1,3 , Martin Pickel 2 , Anke B.
Schmidt 2 , Fabian Giesen 1 , Jürgen Braun 4 , Markus Donath 2 ,
and Martin Weinelt 1,3 — 1 Max-Born-Institut, Max-Born-Strasse
2A, 12489 Berlin — 2 Physikalisches Institut, Universität Münster,
Wilhelm-Klemm-Strasse 10, 48149 Münster — 3 Freie Universität
Berlin, Arnimallee 14, 14195 Berlin — 4 Institut für Mathematik
und angewandte Informatik, Universität Hildesheim, Samelsonplatz 1,
31141 Hildesheim
The experimentally found values of the lifetime ratio (τmaj/τmin) of
hot electrons in 3d ferromagnetic thin films are by a factor of 4-5
smaller than predicted by values of modern ab initio calculations [1,2].
We have measured the spin-dependent hot-electron lifetime for varying
excitation density in a 20 ML Co film on Cu (001) with spinresolved
two-photon photoemission. We identify three contributions
to the time resolved spectra: the off-resonant excitation of the imagepotential
state, the hot electron decay, and the signature of a spin flip
exchange-scattering process with an occupied surface-resonance state.
In this process a minority hole is filled in the surface-resonance while
a majority electron is in turn lifted above the Fermi energy . These
results are supported by recent self-consistent LSDA + DMFT calculations
of the Co bandstructure. For comparison the lifetime ratio of
hot electrons in Ni is discussed.
[1] Aeschlimann et al., Phys. Rev. Lett. 79, 5158 (1997)
[2] Zhukov et al., Phys. Rev. Lett. 93, 096401 (2004)

O 44: Plenary Talk André Geim
Wednesday
Time: Wednesday 8:30–9:15 Location: H 0105
Graphene: Exploring Carbon Flatland
O 45: Plenary Talk Knut Urban
Time: Wednesday 9:15–10:00 Location: H 0105
The new paradigm of electron microscopy on the way to the ultimate limits of optics
O 46: Invited Talk Stefan Mayr (Gaede Prize)
Time: Wednesday 13:30–14:15 Location: HE 101
Prize Talk O 46.1 (722) Wed 13:30 HE 101
Structure formation, kinetics and mechanics in thin films and
solids: from nanoscale to macroscopic properties in experiments
and simulations. — •Stefan Georg Mayr — I. Physikalisches
Institut, Georg-August-Universität Göttingen
Macroscopic properties of functional thin films and solids, including
structure and mechanics, are frequently dominated by processes at the
atomic level, while the growing demand for miniaturization in science
and technology has strongly triggered interest in nanoscale phenomena.
Fine tuning and creation of new materials can thus greatly benefit from
a detailed understanding across time and length scales. To achieve
this, we employ a complimentary approach of experiments, atomistic
computer simulations and analytical modelling, which we exemplify in
O 47: Invited Talk Emily Carter
two instances: We report about our studies on i) the mechanisms of
self-organized structure formation at surfaces in driven systems and
on ii) the nanomechanics in disordered solids. While i) combines an
external forcing (materials deposition, energetic ions, templates) with
intrinsic thermodynamics / kinetics to induce pattern formation or ultrasmooth
surfaces, ii) is characterized by the occurrence of a highly
heterogeneous dynamics in response to stress. In both cases, i) and
ii), we choose metallic glasses as model systems due to their spatial
isotropy, but also investigate generalizations to non-metallic as well
as crystalline systems. Recent implications for the miniaturization of
functional thin films and applications are also discussed. Funded in
part by the DFG - SFB 602 (TP B3), DFG - SPP 1239(TP C4) and
GIF 428-303.1.
Time: Wednesday 14:15–15:00 Location: HE 101
Invited Talk O 47.1 (8) Wed 14:15 HE 101
Ab Initio Treatment of Strongly Correlated Electron Materials
— •Emily Carter — Department of Mechanical and Aerospace
Engineering and Program in Applied and Computational Mathematics,
Princeton University, Princeton, NJ 08544 USA
Density functional theory (DFT) has been anointed as the method of
choice for a quantum mechanics description of molecules and materials,
but it is best used as a qualitative indicator because its quantitative
accuracy is still limited by approximate electron exchange and correlation
(XC). Moreover, there are cases where DFT fails completely, even
in a qualitative sense. Photochemistry, strongly correlated systems,
physisorption, and polymers are all at best poorly described within
standard DFT. We will discuss two ab initio techniques we have been
developing in order to accurately treat excited states and strongly correlated
electrons in condensed matter. In particular, we will discuss
our embedded configuration interaction theory, which offers a locally
improved description of XC, and an ab initio version of the so-called
LDA+U method for strongly correlated materials. We will discuss applications
of these techniques to problems where DFT fails (for various
reasons that shall be outlined in the talk): the Kondo effect (transition
metal impurities in nonmagnetic metallic hosts) and properties of first
row transition metal oxides.
O 48: SYSA: Tayloring Organic Interfaces: Molecular Structures and Applications VI (Invited
Speaker: Ivan Stich; FV: DS+CPP+HL+O)
Time: Wednesday 14:30–17:30 Location: H 2013
Invited talk and contributions
O 49: Particles and Clusters
Time: Wednesday 15:15–17:45 Location: MA 005
O 49.1 (104) Wed 15:15 MA 005
Comparing the sampling efficiency of genetic and basinhopping
algorithms in the structural optimization of
Lennard-Jones clusters — •Vladimir Froltsov and Karsten
Reuter — Fritz-Haber-Institut, Faradayweg 4-6, D-14195 Berlin (Germany)
Detailed knowledge about structural properties is an indispensable
prerequisite en route towards a future exploitation of the intriguing
materials properties of small atomic clusters. Crucial for the corresponding
global geometry optimization problem is a reliable sampling
of the high-dimensional potential-energy surface (PES) to identify the
(meta)stable minima. In view of the high computational cost when the
PES is evaluated with predictive quality by first-principles methods,
utmost efficiency with a minimum dependence on the initial starting
configuration is an additional demand on the sampling scheme. With
this focus we compare the efficiency of the two prevalent algorithms for
PES sampling, namely genetic algorithms (GA) and the basin-hopping
(BH) approach, using the determination of the ground-state structure
of model Lennard-Jones clusters as criterion. We find an intriguing
cross-over between the two approaches, with BH more efficient than
GA for cluster sizes up to 65, and GA more efficient for larger clusters.
We rationalize this finding with the ability of the population-based

GA’s to explore in parallel disjunct parts of the PES, which becomes
increasingly important for the increasingly high-dimensional PESs of
larger clusters.
O 49.2 (254) Wed 15:30 MA 005
Absorption spectra of small metal clusters — •George Pal 1 ,
Yaroslav Pavlyukh 2 , Hans Christian Schneider 1 , and Wolfgang
Hübner 1 — 1 Department of — 2 Institut für Physik,
We present results for the photoabsorption cross sections of small
sodium clusters (Na4, Na +
9 and Na+ 21 ) calculated by means of a linear
response approach for the electron-hole correlation function. Following
Refs. [1] and [2], we compute the electron-hole correlation function as
the functional derivative of the generalized density matrix with respect
to an external field, which yields an equation of the Bethe-Salpeter
type. This procedure is conserving and fulfills important sum rules by
construction. The theoretical spectra are in excellent agreement with
the experimental results.
[1] L. P. Kadanoff and G. Baym, Phys. Rev. 124, 287 (1961)
[2] N.-H. Kwong and M. Bonitz, Phys Rev. Lett. 84, 1768 (2000)
O 49.3 (260) Wed 15:45 MA 005
Ensemble-modelling of CdSe/ZnS core-shell nanoparticles
using x-ray powder diffraction data — •Franziska
Niederdraenk 1 , Christian Kumpf 1 , Reinhard Neder 2 , and Eberhard
Umbach 1,3 — 1 Universität Würzburg, Experimentelle Physik II,
97074 Würzburg — 2 Universität Würzburg, Mineralogisches Institut,
97074 Würzburg — 3 Forschungszentrum Karlsruhe GmbH, D-76021
Karlsruhe
Standard methods for the analysis of powder x-ray diffraction data
(like e.g. a Rietveld refinement) cannot be used efficiently for heterogenic
or imperfect systems like core-shell nanoparticles, since they are
usually based on bulk-crystal approaches. In particular, mixed (epitactic)
structures, interface-effects, and imperfections like relaxations and
stacking faults, that often occur in very small particles (

emission wavelengths.
O 49.9 (628) Wed 17:15 MA 005
Creation of hot electrons below the surface by highly
charged ions — •Thorsten Peters 1 , Chrstian Haake 1 , Domocos
Kovacs 2 , Detlef Diesing 3 , Artur Golczewski 4 , Gregor
Kowarik 4 , Friedrich Aumayr 4 , Andreas Wucher 1 , and Marika
Schleberger 1 — 1 Universität Duisburg-Essen, Fachbereich Physik,
Lotharstrasse 1, 47057 Duisburg, Germany — 2 Experimentalphysik II,
Ruhr-Universität Bochum, 44801 Bochum, Germany — 3 Physikalische
Chemie, Universität Duisburg-Essen, 45117 Essen, Germany —
4 Institut für Allgemeine Physik, Technische Universität Wien, A-1040
Vienna, Austria
Highly charged ions provide a unique method for creating ultra high
energy densities in the surface region of a solid. Thin film metalinsulator-metal
junctions are used in a novel approach to investigate
the dissipation of the energy of multiply charged ions impinging on
a polycrystalline metal surface. The ion–metal interaction leads to
Auger electron emission of several ten eV which again leads to excited
electrons and holes within the top layer. A substantial fraction of these
charge carriers is transported inwards and can be measured as an internal
current in the thin film tunnel junction. In Ag–AlOx–Al junctions,
yields of typically 0.1–1 electrons per impinging ion are detected in the
bottom Al layer. The separate effects of potential and kinetic energy
on the tunneling yield are investigated by varying the charges state of
the Ar projectile ions from 2+ to 9+ for kinetic energies in the range
from 1 to 12 keV. The tunneling yield is found to scale linearly with
the potential and kinetic energy of the projectile.
Wednesday
O 49.10 (632) Wed 17:30 MA 005
Structure and properties of Au on nanostructured ceria —
•Martin Baron, Dario Stacchiola, Shamil Shaikhutdinov, and
Hajo Freund — Fritz-Haber-Institut der Max-Planck-Gesellschaft,
Faradayweg 4-6, 14195 Berlin, Germany
It is well established that oxide supported gold nanoparticles catalyse
CO oxidation at temperatures as low as 200 K [1]. Among those
reported in the literature, gold catalysts supported on the cerium oxide
(CeO2) often show a superior activity, in particular when ceria is
present as nanoparticles [2]. To date, there are still open questions
regarding the reaction mechanism and the nature of active species. In
particular, the role of cationic (Au3+, Au+) species in this reaction
remains unclear. Herein, we will present combined STM, XPS, LEED
and IRAS studies of gold particles deposited on both extended CeO2
films and ceria nanoparticles. Well ordered CeO2 films were grown on
Ru(0001) single crystal, and the quality of the films was controlled by
XPS, LEED and STM. The ceria nanoparticles were prepared on thin
silica films, which are essentially inert towards Au and CO, such that
Au was only nucleated on the ceria particles and CO adsorbed only on
Au/ceria. The results are rationalized on the basis of highly defective
surface of nanoceria, which modifies the electronic structure of gold.
[1] M. Haruta, N. Yamada, T. Kobayashi, and S. Iijima, J. Catal., 115
(1989) 301 [2] Carrettin S., Concepción P., Corma A., López Nieto
J.M., Puntes V.F. (2004) Angew.
O 50: Symposium: Surface Spectroscopy on Kondo Systems II (Invited Speakers: Jonathan
Denlinger, Johann Kroha, Alexander Schneider)
Time: Wednesday 15:15–18:00 Location: HE 101
O 50.1 (163) Wed 15:15 HE 101
ARPES Mapping of the Fermi Surfaces of Three-Dimensional
Heavy Fermion Systems — •Jonathan Denlinger — Lawrence
Berkeley National Laboratory, Berkeley, California 94720, USA
Angle-resolved photoemission (ARPES) on most heavy fermion felectron
systems is a very challenging task because they are typically
three-dimensional, incurring effects of kz-broadening, and may not
cleave well. Also their electronic structures typically contain many
overlapping bands and very small (meV) hybridization energy scales
near the Fermi level thus requiring high momentum- and energyresolution.
Experimental advances in electron spectrometers, x-ray
synchrotron sources and automation have enabled acquisition of large
variable photon-energy ARPES electronic structure maps that permit
a kz-tomographic determination of the 3D band structures and Fermi
surfaces with sufficient detail to be truly complementary to dHvA in
addressing theoretical predictions for this class of materials. Progress
in this direction is discussed for the systems of CeRu2Si2, CeCoIn5
and YbBiPt.
O 50.2 (707) Wed 15:45 HE 101
Local Kondo Physics vs. Lattice Effects in Real Solids —
•Johann Kroha — Physikalisches Institut, Universität Bonn
In recent years, photoemission spectroscopy (PES) as well as scanning
tunneling microscopy (STM) have been developed into powerful tools
for investigating the low-energy features characteristic for strongly correlated
impurity and lattice systems due to their high spectral resolution
of only a few meV.
We first review briefly the physical origin of the multiple low-energy
resonances in heavy-electron compounds as Kondo spin fluctuations,
involving the crystal-field or spin-orbit split 4f orbitals of rare earth
ions. We then discuss the different shape of STM Kondo spectra, where
multiple Kondo resonances are not observed, and explain this fact by
the orbital selectivity of the STM in contrast to PES. We propose a
method to determine the spatial orientation of individal orbitals of
Kondo impurities on a metal surface from their STM spectra.
In the second part of the talk we analyze theoretically recent PES
experiments on the heavy fermion compound CeCu6−xAux, which undergoes
a quantum phase transition (QPT) to an antiferromagnetically
ordered state at x � 0.1. The PES spectra, taken at T � 10 K, i.e.
well above the ordering temperature, probe the local Kondo physics
of the Ce atoms, and indicate a sharp drop of the Kondo temperature
TK near x = 0.1. By analyzing the origin of this drop theoretically,
we conjecture on whether in CeCu6−xAux the Hertz-Millis scenario
(persistence of quasiparticles through the QPT) or the local quantum
critical scenario (breakdown of quasiparticles at the QPT) is realized.
O 50.3 (302) Wed 16:15 HE 101
Local Correlation Physics of Transition Metal Atoms on Noble
Metal Surfaces — •M. Alexander Schneider — Lehrstuhl für
Festkörperphysik, Universität Erlangen, Staudtstr. 7, D-91058 Erlangen
Scanning tunneling spectroscopy at low temperatures has allowed experimentalists
to access the properties of the single Kondo impurity at
surfaces [1]. This local approach proved fruitful as it has opened the
route to study systematically the coupling of an impurity to various
electronic states at the surface [2] and also the coupling between Kondo
impurities [3]. In my talk I will discuss the experimental findings of
the properties of Co-Atoms on noble metal surfaces and multilayer
substrates.
[1] J. Li, et al., Phys. Rev. Lett 80, 2893 (1998) and V. Madhavan,
et al., Science 280, 567 (1998)
[2] M.A. Schneider, et al., Jap. J. Appl. Phys. 44 (7B), 5328 (2005)
[3] P. Wahl, et al., Phys. Rev. Lett. 98, 056601 (2007)
O 50.4 (706) Wed 16:45 HE 101
Kondo Peak Splitting in a Magnetic Field for
Ti/CuN/Cu(100)-c(2 × 2) — •Harald Brune 1,2 , Markus
Ternes 1 , Christopher P. Lutz 1 , Cyrus F. Hirjibehedin 1,3 , and
Andreas J. Heinrich 1 — 1 IBM Almaden Research Center — 2 Ecole
Polytechnique Fédérale de Lausanne — 3 London Centre for Nanotechnology
dI/dV –spectra recorded with an STM operating at 0.6 K show a
Kondo peak when the tip is centered over individual Ti atoms adsorbed
onto the Cu sites of CuN-c(2 × 2)–islands on a Cu(100) surface.
In the gas phase Ti has S = 1, however, the observed spectra are
suggestive of S = 1/2. The peak is sufficiently narrow to observe its
splitting under an out-of-plane magnetic field. We discuss the results
in light of measurements of the d-state LDOS centered at 0.7 eV above
EF.
O 50.5 (29) Wed 17:00 HE 101
Contribution of the surface state to the observation of the

surface Kondo resonance — •Jörg Henzl and Karina Morgenstern
— Insitut für Festkörperphysik, Leibniz Universität Hannover,
Germany
Tunneling spectra obtained on and near Co atoms adsorbed on Ag(111)
show at 5 to 6 K a Kondo resonance that appears as a characteristic dip
around the Fermi energy. The feature is present up to 1.5 nm around
Co atoms adsorbed on terraces with the surface state onset in the occupied
region of the density of states. On a narrow terrace, where the
surface state onset lies in the unoccupied region of the density of states,
it is only present up to 0.5 nm. This difference demonstrates directly
the importance of the surface state electrons in the observation of the
surface Kondo resonance.
O 50.6 (665) Wed 17:15 HE 101
Kondo effect of subsurface Fe and Co impurities in Cu(100)
- a comparative STS study — •Alexander Weismann, Martin
Wenderoth, Henning Prüser, and Rainer G. Ulbrich —
IV. Physikalisches Institut; Georg-August Universität Göttingen, Germany
We prepared single isolated subsurface iron and cobalt atoms beneath
the Cu(100) surface by co-deposition of host metal and impurity compound
under UHV conditions. The STM topographies at 6K show bulk
state LDOS oscillations with four-fold symmetry in the vicinity of the
defects. The observed patterns are in good agreement with the results
of calculations based on host metals Greens function. This allows a
depth classification and an extraction of the Kondo-related scattering
phase from the STM experiment. In STS measurements both species
of impurities show characteristic Kondo features on distinctly different
energy scales. The dI/dV spectra show Fano line shapes depending on
depth of the impurity below the surface. In the case of Fe the observed
resonance width is extremely narrow so that even in the topographies
a significant change of the interference pattern within +/- 3mV around
zero bias can be observed. This work was supported by DFG SFB 602
TPA3.
O 50.7 (125) Wed 17:30 HE 101
Electronic structure of thin ytterbium layers on W(110)
— •Yury Dedkov 1 , Denis Vyalikh 1 , Matthias Holder 1 , Mar-
Wednesday
tin Weser 1 , Serguei Molodtsov 1 , Yury Kucherenko 2 , Mikhail
Fonin 3 , and Clemens Laubschat 1 — 1 Institut für Festkörperphysik,
TU Dresden, Germany — 2 Institute for Metal Physics, Kiev, Ukraine
— 3 Fachbereich Physik, Universität Konstanz, Germany
Among the lanthanides, Yb and Ce are of fundamental interest, because
of the strong interaction between 4f and valence-band (VB)
states leading to mixed-valence and Kondo phenomena in a number of
compounds [1,2]. This analogy between Yb and Ce systems has been
explained on the basis of the electron-hole symmetry of the quasiatomic
4f shell. While the correspondence has been established for a number
of compounds, no evidence for such symmetry has been reported up to
now for the pure metals. Motivated by the recent work [3], we report
on the results of the angle-resolved photoemission (PE) studies of thin
layers of Yb (1-3 ML-thick) on W(110) surface. The clear splitting of
the Yb 4f 7/2 state was observed in the PE spectra measured around Γ
point for 1 ML-thick Yb film. The measured PE spectra were analyzed
by means of the simplified periodic Anderson model.
[1] C. Laubschat, G. Kaindl, W.-D. Schneider, B. Reihl, and N.
M˚artensson, Phys. Rev. B 33, 6675 (1986).
[2] F. Patthey, J.-M. Imer, W.-D. Schneider, H. Beck, Y. Baer, and
B. Delley, Phys. Rev. B 42, 8864 (1990).
[3] D. V. Vyalikh, Yu. Kucherenko, S. Danzebächer, Yu. S. Dedkov,
C. Laubschat, and S. L. Molodtsov, Phys. Rev. Lett. 96, 026404
(2006).
O 50.8 (272) Wed 17:45 HE 101
Conductance and Kondo effect of a controlled single atom
contact — •néel nicolas, kröger jörg, limot laurent, and
berndt richard — Institut für Experimentelle und Angewandte
Physik, Christian-Albrechts-Universität zu Kiel, Germany
The tip of a low-temperature scanning tunneling microscope is brought
into contact with individual cobalt atoms adsorbed on Cu(100). A
smooth transition from the tunneling regime to contact occurs at a
conductance G around the quantun of conductance G0. Spectroscopy
in the contact regime, i. ,e., at currents in a micro-ampere range was
achieved and indicated a significant change of the Kondo temperature
TK. Calculations indicate that the proximity of the tip shifts the cobalt
d-band and thus affects TK.
O 51: Metal Substrates: Adsorption of Organic/Bio Molecules III
Time: Wednesday 15:15–18:30 Location: MA 041
O 51.1 (228) Wed 15:15 MA 041
Molecular 2D Ordering of Viologens Under Non-Equilibrium
Condition - an EC-STM Approach — •Duc Thanh Pham, Klaus
Wandelt, and Peter Broekmann — Institut f. Physikalische und
Theoretische Chemie, Uni Bonn
The structural characterization of 1,1’-dibenzyl-4,4’ bipyridinium
molecules (dibenzyl-viologen, DBV), adsorbed on a chloride modified
Cu(100) electrode is studied by means of Cyclic Voltammetry (CV) and
ElectroChemical Scanning Tunneling Microscopy (EC-STM). All previous
studies on this system started with the non-reactive adsorption
of DBV 2+ in the double layer regime resulting in the surface assisted
organization of a cationic DBV 2+ monolayer on top of the c(2x2) anionic
chloride adlayer. However, within the electrode potential window
ranging from E = -150 mV to E = -250 mV where the first reduction
step from the di-cationic to the radical mono-cationic viologen form
takes place, a ”reactive”adsorption of viologen occurs. Preferred reaction
products at the surface are metastable viologen dimer species with
a viologen coverage of 0.077 ML. Once formed under kinetic control,
this dimer phase exhibits an unusually high stability against changes
of the potential. It can only be converted irreversibly into either the
oxidized dicationic species or the more compact and thermodynamically
favorable ”polymeric”stacking phase of radical mono-cations by
significantly more anodic or cathodic potentials sweeps, respectively.
O 51.2 (91) Wed 15:30 MA 041
Ultra-thin films of α-sexithiophene on Au(001) at room and
elevated temperature — •Anke Höfer, Klaus Duncker, Mario
Kiel, Sebastian Wedekind, René Hammer, and Wolf Widdra —
Institute of Physics, Martin-Luther-Universität Halle-Wittenberg
The rodlike, π-conjugated molecule α-sexithiophene (α-6T) is widely
used in organic electronics, in which the performance of the devices
strongly depends on molecular order. Ultra-thin films of α-6T on
Au(001) have been studied by scanning tunneling microscopy (STM)
in UHV. At room temperature in the monolayer regime two different
highly ordered adsorption phases coexist which are related to quenching
(phase D) and conservation (phase L) of the underlying substrate
reconstruction. As the molecular structure of D is identical to one
found on Ag(001), the other one is similar to that observed on Au(111)
[1]. Both structures show different homochiral domains necessitating
chiral self-recognition of the adsorbed molecules. Thermally induced
both phases disappear at 400 K, whereas the transition of L is irreversible.
In-situ observations at elevated temperatures from 410 K up
to 630 K show the formation of a molecular network, which is interpreted
as result of thiophene polymerization. The onset temperature
of polymerization differs for the surface areas with quenched and conserved
reconstruction.
[1] M. Kiel, K. Duncker, Ch. Hagendorf, W. Widdra, Phys. Rev. B
75, 195439 (2007)
O 51.3 (211) Wed 15:45 MA 041
Formation of covalently bound chains from Dibromoterfluorene
molecules on Au(111) — •Leif Lafferentz 1 , Hao Yu 2 ,
Stefan Hecht 2 , and Leonhard Grill 1 — 1 Institut für Experimentalphysik,
Freie Universität Berlin, Arnimallee 14, 14195 Berlin —
2 Institut für Chemie, Humboldt-Universität zu Berlin, Brook-Taylor-
Str. 2, 12489 Berlin
Supramolecular structures formed by self-assembly on surfaces have attracted
a lot of interest in the last years. While the formation of arrays
relying on non-covalent bonds can yield structures of high complexity,
they tend to be not very robust. For nanostructures of potential interest
for future applications, a more rigid connection of the molecular
building blocks is required.

Recently, it has been shown in our group that it is possible to form
molecular networks of predesigned architecture by directed covalent
linking of porphyrin molecules [1]. We will present results on the
versatility of this method using differently designed building blocks,
namely Dibromoterfluorene (DBTF). Intact molecules are found on the
Au(111) surface in characteristic arrays. Upon sufficient heating, these
molecules become ”activated” and are connected by covalent bonds to
form long chains. The constructed macromolecules are characterized
by scanning tunneling microscopy (STM). Furthermore, manipulation
of the molecular chains by using the STM tip will be presented. [1] L.
Grill, M. Dyer, L. Lafferentz, M. Persson, M. V. Peters, and S. Hecht,
Nature Nanotech. 2, 687 (2007)
O 51.4 (362) Wed 16:00 MA 041
Protection group controlled surface chemistry-organization
and heat induced coupling of biphenyl derivatives on metal
surfaces — •Serpil Boz 1 , Meike Stöhr 1 , Umut Soydaner 2 , and
Marcel Mayor 2 — 1 University of Basel, Department of Physics,
Klingelbergstrasse, CH-4056 Basel, Switzerland. — 2 University of
Basel, Department of Chemistry, St. Johannsring 19, CH-4056 Basel,
Switzerland
The development of scanning probe methods enabled the investigation
of molecules on surfaces with impressive resolutions. The arrangement
of the molecules in ordered patterns occurs because of a delicate balance
between molecule - substrate and intermolecular interactions such
as van der Waals interactions, H-bonding or dipolar coupling. A very
appealing concept is to profit from the order of these pre-organized
structures and to interlink the molecular building blocks to macromolecules.
A prominent example for this is diacetylenes which have
been polymerized on surfaces either by UV-light or with aid of the
STM tip. Here we would like to present our new concept to control
both, the molecular self-assembly and the subsequent intermolecular
coupling reactivity by protection group chemistry. We studied a BOC
protected biphenyl derivative which forms a parallel and a herringbone
arrangement at room temperature on a Cu (111) surface. A second
phase is observed after the sample is annealed at 196 ◦ C and covalently
linked dimers by splitting off the BOC groups are formed. As a result
of further annealing, individual cross-shaped polymeric structures are
obtained.
O 51.5 (420) Wed 16:15 MA 041
Thermally induced polymerization of molecules on surfaces —
•Manfred Matena 1 , Jorge Lobo-Checa 1 , Meike Stöhr 1 , Kathrin
Müller 2 , Thomas A. Jung 2 , Till Riehm 3 , and Lutz H. Gade 3
— 1 Departement Physik, Universität Basel, Switzerland — 2 Paul-
Scherrer-Institut, Villigen, Switzerland — 3 Institut für Anorganische
Chemie, Universität Heidelberg, Germany
By utilizing the concepts of supramolecular chemistry, impressive results
for molecular self-assembly on surfaces have been presented.
Mostly, non-covalent interactions like metal coordination, hydrogen
bonding or dipolar coupling are exploited to create extended
supramolecular patterns in variable dimensions. One common approach
to influencing these structures relies mainly on the sophisticated
design of the molecular functional groups. Thus it makes use of
properties already inherent to the molecules. In our work we have chosen
a different concept. A thermally-induced surface-assisted reaction
was used to modify the endgroups of a perylene derivative (TAPP)
and thereby, the molecular interactions are altered.
TAPP was found to form a closed-packed assembly on Cu(111),
whereas the intermolecular interactions are based upon vdW-forces.
After annealing at 150 ◦ C, a metal coordinated rectangular network is
obtained which is commensurate to the underlying Cu surface. In this
case the organic molecules coordinate to Cu atoms through the lone
pairs of their nitrogen atoms. A second annealing step at temperatures
>240 ◦ C modifies the molecule on the surface and leads to covalently
linked polyaromatic chains.
O 51.6 (405) Wed 16:30 MA 041
Molecular self-assembly on an ultrathin insulating film —
•Christian Bombis 1,2 , Nataliya Kalashnik 1 , Wei Xu 1 , Erik
Laegsgaard 1 , Flemming Besenbacher 1 , and Trolle Linderoth 1
— 1 Department of Physics and Astronomy, and iNANO, University of
Aarhus, 8000 Aarhus C, Denmark — 2 Institut für Experimentalphysik,
Freie Universität Berlin, Arnimallee 14, 14195 Berlin, Germany
Molecular self-assembly of cyanuric acid (CA) and melamine (M) on
an ultrathin NaCl film grown on Au(111) is investigated by means of
STM. Since it was shown that an ultrathin insulating film of NaCl
Wednesday
on a metallic substrate enables electronical decoupling of an adsorbed
molecule from the conducting substrate, while still allowing imaging
of the molecule with STM, this method gained increasing attention for
reasons of practical interest. However, due to weak molecule-substrate
interactions stabilization of the molecules on alkali halides is a challenging
task. In the present study we present the preparation and growth
of ultrathin NaCl films in submonolayer quantities on Au(111). CA
and M were thermally evaporated on such a NaCl/Au(111) substrate
held at room temperature. We were able to image ordered molecular
islands at comparatively high temperatures between 120 and 180 K
on top of the NaCl film, which are nucleated at NaCl step edges. As
we could identify the same adsorption structures on the NaCl film as
previously reported by Xu et al.* for CA and M on pure Au(111), we
conclude that the stabilization of the molecules is facilitated by their
ability to form complementary triple hydrogen bond motifs with a high
intermolecular interaction strength. *small 2007, 3, No. 5, 854-858
O 51.7 (423) Wed 16:45 MA 041
Scanning Tunneling Microscopy Study of Iron(II) Phthalocyanine
Growth on Metal and Insulating Surfaces
— •Alessandro Scarfato 1,2 , Shih-Hsin Chang 1 , Germar
Hoffmann 1 , and Roland Wiesendanger 1 — 1 Institute of Applied
Physics and Microstructure Research Center Hamburg, University
of Hamburg, Jungiusstrasse 11, D-20355, Hamburg, Germany —
2 Dipartimento di Fisica “E. R. Caianiello”, Università degli Studi di
Salerno e CNR-INFM Laboratorio Regionale SUPERMAT, via Salvador
Allende, I-84081 Baronissi (SA), Italy
The growth behavior of iron(II) phthalocyanine (FePc) molecules on
Cu(111) and on NaCl/Cu(111) surfaces up to a coverage ∼ 1.5 ML
has been studied by a variable-temperature scanning tunneling microscope.
Molecules have been deposited at room temperature to allow
for surface diffusion. At low coverage (∼ 0.5 ML) no tendency of self
assembling was observed, while at high coverages (> 1 ML) the second
layer molecules self-organize to form long-range domains in the alpha
phase. In order to tune molecule-substrate interaction insulating
NaCl layers are introduced. Adsorption of FePc molecules on NaCl
shows site specificity, i.e. the Fe atom adsorbs on top of a Cl − anion.
We will discuss our results on the growth morphology in terms of
molecule-molecule and molecule-substrate interactions in comparison
with previous findings for FePc on Au(111).
O 51.8 (53) Wed 17:00 MA 041
STM and STS on Ultrathin Organic Layers of Fluorinated
Cobalt Phthalocyanine (F16CoPc) on Crystalline Substrates
— •Mahmoud Abdel-Hafiez, Marius Toader, Thiruvancheril
Gopakumar, and Michael Hietschold — Institute of Physics, Solid
Surfaces Analysis Group, Chemnitz University of Technology, D-09107,
Chemnitz, Germany
Scanning Tunneling Microscope (STM) and Spectroscopy (STS) are
used to study the adsorption geometry and electronic structure of isolated
hexafluro-cobalt phthalocyanine (F16CoPc) molecules adsorbed
on the basal plan of HOPG and Ag(110). Monolayers were prepared using
organic molecular beam epitaxy (OMBE) under ultra high vacuum
(UHV) conditions at room temperature and investigated at 45 K using
Omicron VT-STM. F16CoPc forms a perfect quadratic superstructure
independent of the substrate. In both cases a planar adsorption of
molecules is observed with a non-commensurate superstructure with
the substrate lattice. Moreover tunneling voltage polarity dependent
contrast reversal at the cobalt center is observed, especially in the case
of molecules on Ag(110). Adsorption geometry of molecules within the
adlayer shows the influence of fluorine atoms in the packing. Tunneling
spectroscopy and single molecule calculations are employed to understand
the type of interactions between F16CoPc and the substrate, as
well as the effects of fluorine atoms on the geometric configurations of
the adsorbed F16CoPc molecules.
O 51.9 (390) Wed 17:15 MA 041
Ordered 2D assemblies of phenoxy substituted phthalocyanines
as hosts for further guest molecules — Tomas Samuely 1 ,
Shi-Xia Liu 2 , Nikolai Wintjes 1 , Marco Haas 2 , Silvio Decurtins 2 ,
Thomas A. Jung 1,3 , and •Meike Stöhr 1 — 1 Institute of Physics,
University of Basel, Klingelbergstrasse 82, 4056 Basel, Switzerland
— 2 Department of Chemistry and Biochemistry, University of Bern,
Freiestrasse 3, 3012-Bern, Switzerland — 3 Laboratory for Micro- and
Nanostructures, Paul-Scherrer-Institute, 5232 Villigen, Switzerland
Symmetrically substituted phthalocyanines (Pcs) with eight peripheral
di-(tert-butyl)phenoxy (DTPO) groups self-organize on Ag(111) and

Au(111) substrates into various phases. These phases coexist due to a
retardation of the thermodynamic optimization of the conformations,
caused by the proximity of the Pc core to the metal substrate together
with the steric entanglement between neighboring DTPO substituents.
The rotational degrees of freedom allow all the DTPO substituents to
be arranged above the plane of the Pc core, forming a bowl-like structure,
which enables the interaction of the Pc core with the metal substrate.
Moreover, this bowl-like shape predetermines such assemblies
to serve as a host accommodating guest molecules. As an example,
C60 molecules, upon deposition on an ordered layer of the DTPO substituted
Pcs, bind to two clearly distinguishable sites, exhibiting different
morphologic and electronic properties. Since Pcs are well-known
electron donors and C60 molecules are good electron acceptors, such
ordered guest-host systems allow addressable STM/STS investigations
of individual donor-acceptor complexes.
O 51.10 (465) Wed 17:30 MA 041
Adsorption and ordering of a triphenylene Cr(CO)3 complex
on noble metal surfaces — •Christoph H. Schmitz 1 , Julian
Ikonomov 1 , Iordan Kossev 1 , Carola Rang 2 , Serguei Soubatch 3 ,
Olga Neucheva 3 , Frank Stefan Tautz 3 , Karl Heinz Dötz 2 , and
Moritz Sokolowski 1 — 1 Institut für Physikalische und Theoretische
Chemie, Universität Bonn — 2 Kekulé-Institut für Organische Chemie
und Biochemie, Universität Bonn — 3 Institute of Bio- and Nanosystems
3, Forschungszentrum Jülich
Adsorption by physical vapor deposition of metal-organic complexes
is so far known for metallocene- and phthalocyanine-derivatives. Here
we report on the deposition of the chromium complex (1,2,3,4,4a,12b)tricarbonyl-(2,3-diethyl-1,4-dimethoxytriphenylene)chromium(0)
(TPHC) and the corresponding ligand 2,3-diethyl-1,4-dimethoxytriphenylene
(TPH). This complex is of interest, since a haptotropic
migration of the Cr(CO)3-moiety is found in solution and may also
be present in adsorbed layers. We succeeded to prepare ordered layers
of TPHC and TPH on silver and copper single crystal surfaces
that were investigated by scanning tunneling microscopy and x-ray
photoelectron spectroscopy. STM shows the formation of long range
ordered structures with different unit cells for TPHC and TPH. This
demonstrates that the Cr(CO)3-moiety has a decisive influence on the
lateral interaction of the molecules on the surface. XPS results reveal
the intact adsorption of TPHC. Experiments with low energy electron
diffraction, however, fail since a decomposition of the complex due to
electron bombardment occurs. (Funded by DFG SFB 624)
O 51.11 (359) Wed 17:45 MA 041
Local and Long Range Structure of Ferrocene on Au(111)
Surfaces — •Gerhard Pirug 1 , Michel Kazempoor 1 , Josef Mysliveček
2 , and Bert Voigtländer 1 — 1 Institut für Bio- und Nanosysteme
(IBN3), Forschungszentrum Jülich GmbH, Germany — 2 Dept.
of Surface and Plasma Science, Faculty of Mathematics and Physics,
Charles University Prague, Czech Republic
The adsorption of ferrocene (Fe(C5H5)2) on Au(111) surfaces has been
studied spectroscopically applying HREELS and structurally by means
of LEED and STM. The vibrational modes observed by HREELS indicate
reversible molecular adsorption at temperatures of about 110
K. The corresponding frequencies are not significantly shifted with
respect to IR or Raman data for solid ferrocene, indicating a weak
adsorbate - substrate interaction. Multilayer adsorption can be distinguished
from the physisorbed first layer based on relative intensity
O 52: Time-Resolved Spectroscopy III
Wednesday
changes of vibrational modes. In the monolayer regime vibrational
modes with a perpendicular dipole moment from more or less upright
standing ferrocene molecules dominate. Dissociation into cyclopentadienyl
radicals (C5H5) can be excluded. Molecular self assembly
yields well ordered surface structures. A commensurate (3 × √ 3)rect
(p2mg) structure has been identified from topographical STM images
and LEED pattern, consistently. In addition a compressed incommensurate
structure develops. Both structures are at variance with recent
findings by Braun et al. 1 but can be related to the crystallographic
structure of crystalline ferrocene. ( 1 K.F. Braun V. Iancu, N. Pertaya,
K.H. Rieder and S.-W. Hla, Phys. Rev. Lett. 96, 246102 (2006))
O 51.12 (641) Wed 18:00 MA 041
Interaction of scanning tunneling microscopy tip with
adatoms and molecules on metal surfaces: ab initio studies
— •Kun Tao 1 , Valeri S. Stepanyuk 1 , Dmitri I. Bazhanov 2 , and
Patrick Bruno 1 — 1 Max-Planck-Institut fur Mikrostrukturphysik,
Weinberg 2, 06120 Halle, Germany — 2 Faculty of Physics, Moscow
state University, 119899 Moscow, Russia
We perform ab initio calculations of the interaction of the STM tip
with magnetic adatoms and molecules on metal surfaces. We apply
density functional theory (DFT) based methods (SIESTA, VASP) and
perform calculations in the fully relaxed geometries for the tip and the
substrate. Both interactions with nonmagnetic and magnetic tips are
studied. We concentrate on 3d transition metal adatoms supported
on Cu(100) and Cu(111) surfaces. The interaction of the tip with
molecule-metal sandwich, consisting of the benzene molecule and 3d
adatom, is discussed. Our study reveals that electronic states and
magnetic moments of adatoms can be drastically changed by interaction
with tip. We also show that magnetic coupling between the tip
and the adatom can be manipulated by approaching the tip to the
substrate.
O 51.13 (506) Wed 18:15 MA 041
Surface-selection rule for infrared spectra of adsorbate
molecules violated by metal ad-atoms — •Olaf Skibbe 1 , Martin
Binder 1 , Andreas Otto 2 , and Annemarie Pucci 1 — 1 Kirchhoff-
Institut für Physik, Universität Heidelberg, Im Neuenheimer Feld 227,
D-69120 Heidelberg — 2 Institut für Physik der kondensierten Materie,
Heinrich-Heine Universiät, Düsseldorf
Copper adatoms on Cu(111) significantly modify the infrared
reflection-absorption spectrum of ethylene (C2H4) on Cu(111). The
infrared spectral changes do not involve significant shifts of vibration
frequencies as they would be expected for strong distortions. But
originally non-infrared active Raman modes of the centrosymmetric
molecule appear in the spectra and the infrared active CH2-wagging
mode disappears already below 0.2 monolayers of Cu adatoms. Highresolution
electron energy loss spectra of adsorbed ethylene for various
Cu-adatom pre-coverage show the same vibration lines and indicate
the change in their dipole character. Since the molecules are obviously
unchanged, the Raman lines in the infrared spectra must get their
dynamic dipole moment from transient electron transfer favored by
atomic disorder on the metal surface, which is an experimental proof
of a previous hypothesis. The completely new and surprising result of
this work is the disappearing infrared active mode at sub-monolayer
Cu-adatom coverage, which we explain by screening due to the background
polarizability increased by Cu adatoms.
Time: Wednesday 15:15–18:30 Location: MA 042
O 52.1 (345) Wed 15:15 MA 042
Interferometric control of spin-polarized photoemission from
Cu(001) — •Aimo Winkelmann, Wen-Chin Lin, and Jürgen
Kirschner — Max-Planck-Institut für Mikrostrukturphysik, Weinberg
2, D-06120 Halle(Saale), Germany
We demonstrate that we can tune the spin-polarization of photoelectrons
emitted in a three-photon process from Cu(001) by interferometric
control of the delay between two ultrashort optical pulses in a
pump-probe experiment. As a function of pulse delay, the spin polarization
can be changed from ±20% to ∓40% using circularly polarized
light for excitation. We differentiate between the regime of optical in-
terference for overlapping pulses and, for longer delays, the influence of
the material response. The influence of the coherent material response
is detected by observing interference oscillations at twice the optical
frequency. These are created by the interference of the pump pulse induced
electromagnetic polarization at the surface and the subsequent
probe pulse. The spin polarization of the observed electrons for delays
longer than the pulse length also shows the oscillations at twice the
optical frequency.
O 52.2 (251) Wed 15:30 MA 042
Spin-dependent inter- and intraband scattering in imagepotential-state
bands on 3d ferromagnets — •Anke B.

Schmidt 1 , Martin Pickel 2 , Markus Donath 1 , and Martin
Weinelt 2 — 1 Physikalisches Institut, Universität Münster, Wilhelm-
Klemm-Straße 10, 48149 Münster, Germany — 2 Max-Born-Institut,
Max-Born-Straße 2A, 12489 Berlin and Freie Universität Berlin, Fachbereich
Physik, Arnimallee 14, 14195 Berlin, Germany
We have observed ultrafast electron-magnon scattering of imagepotential-state
electrons on ultrathin ferromagnetic films in three different
regions of energy and momentum transfer directly in the time
domain. In our spin- and time-dependent photoemission experiment
we employ the dispersing image-potential-state electron as observer
or primary electron, thus effectively separating low-energy losses from
direct decay into d-holes. For the quasielastic processes resonant interband
scattering and dephasing at the band minimum as well as
intraband scattering, an energy relaxation process, we found evidence
to suggest that electron-magnon scattering constitutes a significant
scattering channel for excited minority-spin electrons on iron even on
the femtosecond timescale.
O 52.3 (415) Wed 15:45 MA 042
Coherent dynamics at Gd(0001) and Tb(0001) surfaces:
magnon-enhanced damping of optical phonons — •Alexey
Melnikov 1 , Alexey Povolotskiy 2 , and Uwe Bovensiepen 1 —
1 Freie Universität Berlin, Institut für Experimentalphysik, Arnimallee
14, D-14195 Berlin, Germany — 2 St. Petersburg State University,
Laser Research Institute, St. Petersburg, 198504 Russia
Coherent lattice and spin dynamics were studied at the Gd(0001)
surface by time-resolved second harmonic generation [1]. To understand
the elementary processes responsible for optical excitation and
damping of coherent phonons (CP) and magnons (CM), we perform
temperature-dependent studies in Gd and Tb. With lowering the temperature
T from the Curie point TC to 40K amplitudes of CP and
CM increase by more than an order following the increase of spin ordering
and showing an essentially ”magnetic”nature of the excitation.
The CP damping rate Γ increases linearly with the temperature in
transition metals, which is attributed to anharmonic phonon-phonon
scattering [2]. In Gd we observe a monotonous increase of Γ(T ) at
T < TC but near TC it reduces significantly. We explain this by
phonon-magnon scattering contributing to Γ at T < TC. This contribution
scales with the magnetoelastic constant mediated by the spinorbit
interaction. This conclusion is confirmed by Γ(T ) measured in
Tb (L=3), where the spin-lattice coupling is much larger than in Gd
(L=0): the phonon-magnon contribution to Γ(T ) is found to be 6 times
larger than in Gd.
[1] A. Melnikov et al., Phys. Rev. Lett. 91, 277403 (2003).
[2] M. Hase et al., Phys. Rev. B 71, 184301 (2005).
O 52.4 (96) Wed 16:00 MA 042
Observing photo-induced chemical reactions of molecules on
surfaces in real-time — •Mihai E. Vaida, Peter E. Hindelang,
Robert Tchitnga, and Thorsten M. Bernhardt — Institut für
Oberflächenchemie und Katalyse, Universität Ulm, Albert-Einstein-
Allee 47, D-89069 Ulm, Germany
Time-of-flight mass spectrometry in conjunction with femtosecond
resonance-enhanced multiphoton ionization is used to monitor ultrafast
chemical reactions of supported molecules. A new experimental
approach enables the quick and precise in situ preparation of the surface
with sub-monolayer adsorbate coverage prior to photo-induced
reaction. The investigation of different reaction pathways is accomplished
by direct real-time monitoring of the different reaction products
and intermediates as well as their kinetic energy content. First
results for methyl iodide adsorbed on ultra-thin insulating magnesia
films will be presented.
O 52.5 (81) Wed 16:15 MA 042
Reversible switching of azobenzene in direct contact with
a Au(111) surface — •Sebastian Hagen, Peter Kate, Felix
Leyssner, Martin Wolf, and Petra Tegeder — Freie Universität
Berlin, Fachbereich Physik
Two-photon photoemission spectroscopy is employed to analyze reversible
changes in the electronic structure of the molecular switch
tetra-tert-butyl-azobenzene (TBA) adsorbed on Au(111), which are
induced by light and thermal activation. Cycles of illumination and
annealing steps confirm the reversibility of the switching process, which
we assign to a trans/cis-isomerization of TBA molecules in direct
contact with the Au(111) surface. Based on wavelength dependent
measurements we propose that the optically-induced conformational
Wednesday
change (trans- to cis-isomerization) of the adsorbed molecules is not
caused by direct intramolecular excitation as in the liquid phase but
rather by an indirect mechanism, viz. a substrate mediated process.
Thereby photoexcitation of holes in the Au d-band followed by a charge
transfer to the HOMO level drives the isomerization in the photon energy
range between 2.1 and 4.6 eV. In addition, for photon energies
above 4.6 eV the creation of a negative ion resonance via attachment
of excited electrons to the molecules plays a role.
O 52.6 (520) Wed 16:30 MA 042
Electron dynamics at the PTCDA/Ag(111) interface studied
with 2PPE — •Manuel Marks 1 , Christian Schwalb 1 ,
Sönke Sachs 2 , Achim Schöll 2 , Eberhard Umbach 2,3 , and Ulrich
Höfer 1 — 1 Fachbereich Physik und Zentrum für Materialwissenschaften,
Philipps-Universität Marburg, D-35032 Marburg —
2 Universität Würzburg, Experimentelle Physik II, D-97074 Würzburg
— 3 Forschungszentrum Karlsruhe, D-76021 Karlsruhe
We investigated epitaxial grown PTCDA (3,4,9,10-perylenetetracarboxylic
acid-dianhydride) on the Ag(111) surface as model
system for a metal-organic interface by means of time- and angleresolved
two-photon photoemission (2PPE). In the presence of thin
PTCDA films, an unoccupied state with an effective electron mass of
0.39 me is observed in the projected band gap of Ag 0.6 eV above
EF. Its inelastic electronic lifetime is � 50 fs and the state has
an appreciable metallic character, significantly exceeding that of the
image-potential states. We assign the new state to a mixture of the
former Ag(111) Shockley surface state and the LUMO+1 of the first
PTCDA monolayer (ML). In contrast to this interface state, which
changes only weakly with PTCDA coverage, the binding energy of the
first image-potential state shows a strong dependence. It increases by
135 meV for 1 ML, compared to clean Ag(111), but with absorption
of the second ML, a subsequent drop of −70 meV relative to the clean
surface occurs. A similar coverage dependence can be seen in the
effective electron mass, which decreases by 20% from the first to the
second PTCDA layer.
O 52.7 (668) Wed 16:45 MA 042
Strong temperature dependence of vibrational relaxation of
H/Ge(100) — Xu Han, Kristian Lass, and •Eckart Hasselbrink
— Department of Chemistry, University of Duisburg-Essen, D-45117
Essen, Germany
The population relaxation of vibrational excitations of adsorbates is
the result of various dynamical couplings. However, the underlying
microscopic mechanisms at semiconductor surfaces are not yet fully
understood. Germanium provides special research interests because of
its lower surface Debye temperature than silicon. On Ge(100) surface
the Debye temperature is more than two times smaller than in bulk,
which implies a strong anharmonicity on the surface.
IR pump-SFG probe measurements of the vibrational population relaxation
on H (2 × 1)/Ge(100) surfaces revealed a strong temperature
dependence of the vibrational lifetime. T1 was measured to be 0.5 ns
for the Ge-H symmetric stretch at RT. The relaxation of vibrational
energy follows a single exponential decay. The order of measured decay
constants decreases from one nanosecond to 100 picoseconds, with
increasing the substrate temperature from 273 K to 400 K. The model
fitting of the temperature dependence suggests that relaxation of the
Ge-H stretch mode initiates simultaneous excitation of three Ge-H
bending quanta and four bulk phonons above RT. Our DFT calculations
suggest that the vibration-phonon coupling, via anharmonicity,
dominates the vibrational decay processes. The strong temperature
dependence is facilitated by the quick increase of the density of states
associated with low-frequency phonons.
O 52.8 (662) Wed 17:00 MA 042
Time-resolved investigation of laser-induced diffusion of CO
on terraces of vicinal Pt(111) — •Jens Güdde, Marco Lawrenz,
and Ulrich Höfer — Fachbereich Physik und Zentrum für Materialwissenschaften,
Philipps-Universität Marburg, D-35032 Marburg
We report on a time-domain study of diffusion of CO on a vicinal
Pt(111) surface at low substrate temperature induced electronically
via substrate electrons excited by femtosecond laser pulses. Diffusion
is observed by monitoring the occupation of step sites on vicinal
substrates by nonlinear optical second harmonic generation (SHG).
Two-pulse correlation experiments were done to study the dynamics
of energy flow from the initially excited substrate electrons to the
adsorbate degrees of freedom. In contrast to O/Pt(111) [1], CO has a
substantially higher binding energy at the step sites than at the terrace

sites. For this reason the steps can be employed as traps for adsorbed
CO at low temperatures and laser-induced diffusion can be observed
by SHG not only from the steps to the terraces but also from terrace to
step sites. For terrace diffusion of CO with a barrier of only 0.2 eV our
correlation measurements at substrate temperatures of 40 and 60 K
indicate a transition from an electronically driven process at low temperatures
to a phonon driven process at higher substrate temperatures.
[1] K. Stépán et al., Phys. Rev. Lett. 94, 236103 (2005).
O 52.9 (188) Wed 17:15 MA 042
Image-potential states and resonances on the clean and Argon
covered (111)-surfaces of Copper and Silver — •Andreas
Damm, Kai Schubert, Jens Güdde, and Ulrich Höfer — Fachbereich
Physik und Zentrum für Materialwissenschaften, Philipps-
Universität, D-35032 Marburg, Germany
We report on a comparative 2PPE study of the influence of Ar adlayers
on the properties of image-potential states of Ag(111) and Cu(111).
On both surfaces only the n = 1 state is non resonant with bulk states.
As a result of Ar adsorption a drop of the workfunction and a systematic
lowering of the binding energies of the image-potential electrons is
observed. On Cu(111) however the first image state is bound close to
the conduction band minimum. Thus this state becomes a resonance
for Ar coverages Θ ≥ 2 ML, whereas it remains in the band gap of the
bulk states on Ag(111) for coverages up to Θ = 4 ML. This leads to
a strikingly different dependence of the first image state’s lifetime on
layer thickness for the two surfaces. On Ag(111) the lifetime of the
first image state depends exponentially on the number of adsorbed Ar
layers, and rises from 32 fs on the clean surface to about 6 ps for Ar
coverages of 4 ML. On Cu(111) the initial lifetime increase with layer
thickness is essentially the same, but at an Ar coverage of Θ = 2 ML a
kink occurs in correlation with that state becoming resonant with the
conduction band of bulk Copper. For higher coverages the increase of
lifetime shows again an exponential behavior, but surprisingly with a
reduced thickness dependence compared to the non resonant case.
O 52.10 (268) Wed 17:30 MA 042
Towards time resolved core level photoelectron spectroscopy
with femtosecond X-ray free-electron lasers — •Annette Pietzsch,
Alexander Föhlisch, Martin Beye, Martin Deppe, Franz
Hennies, Mitsuru Nagasono, and Wilfried Wurth — Institut für
Experimentalphysik, Universität Hamburg, Luruper Chaussee 149, D-
22761 Hamburg
We have conducted an investigation of space-charge induced peak shift
and peak broadening in W 4f core-level photoemission from a W(110)
single crystal surface using femtosecond X-ray pulses from the Free-
Electron Laser at Hamburg (FLASH). We have established experimentally
and through theoretical modelling what should be generally applicable
conditions for photoelectron spectroscopy on solids and surfaces
using femtosecond X-ray pulses from free-electron laser facilities. As
a next step, we have studied within this working range time-resolved
core-level photoelectron spectroscopy on a surface combining a femtosecond
optical laser synchronized to the femtosecond X-ray pulses.
Here, side bands to the W 4f core level lines give evidence of the crosscorrelation
between the femtosecond x-ray and optical pulses needed
for future studies of femtosecond time-resolved core-level photoelectron
spectroscopy on solids and surfaces. This work is supported in the
framework of the BMBF Forschungsschwerpunkt 301 FLASH: Matter
in the light of ultrashort and extremely intense x-ray pulses.
A. Pietzsch et al., submitted
O 52.11 (498) Wed 17:45 MA 042
Zeit- und ortsaufgelöste Nahfelduntersuchung an strukturierten
metallischen Oberflächen — •Andreas Bitzer und Markus
Walther — Molecular and Optical Physics, Institute of Physics,
Albert-Ludwigs-Universität Freiburg, Hermann-Herder-Strasse 3,
79104-Freiburg, Germany
Wir präsentieren eine eigens entwickelte Methode zur zeit- und
Wednesday
ortsaufgelösten Nahfelduntersuchung an mikrostrukturierten metallischen
Oberflächen. Durch gepulste Terahertz-Strahlung werden Oberflächenladungen
zu elektromagnetischen Schwingungen angeregt beispielsweise
an einem Metallgitter, einem Metalldraht und an einer mikrostrukturierten
Metallfolie. Anhand unserem Verfahren ist es nun
möglich, direkt an der Oberfläche der Probe das Nahfeld des elektrischen
Feldes sowohl zeit- als auch ortsaufgelöst zu bestimmen.
Mittels einer Fourieranalyse lässt sich dabei die spektrale Feldverteilung
räumlich auflösen. So konnten wir an metallischen Filmen
mit periodischen subwellenlängen-großen Lochgittern, welche im THz-
Frequenzbereich als Bandpassfilter eingesetzt werden, charakteristische
geometrische Moden beobachten. Ein weiteres Gebiet das sich mit Hilfe
unserer Methode eindrucksvoll beobachten lässt ist die räumliche
und zeitliche Feldentwicklung während der Feldpropagation entlang
eines Wellenleiters. Am Beispiel eines Metalldrahtes werden wir den
Einkopplungsvorgang eines THz Pulses in einen solchen Wellenleiter
visualisieren und anschließend demonstrieren wie sich der THz-Puls
entlang des Drahtes fortbewegt.
O 52.12 (149) Wed 18:00 MA 042
Surface States and Kramers-Kronig relations in onedimensional
Photonic Crystals — •Michael Bergmair and Kurt
Hingerl — CD-Labor für oberflächenoptische Methoden, Institut für
Halbleiter- und Festkörperphysik, Universität Linz, Austria
Surface states provide very interesting features such as large field enhancement
and are very sensitive to the geometry and dielectric behaviour
of the investigated structure. A thin metallic sheet allows to
investigate the near field and permits a design of a system with negative
refracting behaviour. A one-dimensional photonic crystal consisting
of layers which have a resonant dielectric behaviour in the infrared
(photon-phonon coupling) show very interesting surface states: due to
the coupling of bulk and surface states around the resonant frequency
a dispersion with negative group velocity occurs. In this region the
damping remains small yielding a large figure of merit n ′ /n ′′ which is
the ratio of real and imaginary part of the dielectric function. In our
work we will calculate the dispersion of such coupled surface states and
unveil the mechanism that leads to this small damping values. Furthermore
we investigate whether and how Kramers-Kronig relations
can be applied to systems where the internal structure is on the order
of the wavelength.
O 52.13 (695) Wed 18:15 MA 042
Enhanced photodesorption by vibrational pre-excitation:
Quantum model simulations for Cs/Cu(111) — •Dominik
Kröner — Universität Potsdam, Institut für Chemie, Theoretische
Chemie, Karl-Liebknecht-Str. 24-25, D-14476 Potsdam, Germany
We present electronic and nuclear quantum model simulations for the
direct, laser-induced charge transfer from a Cu(111) surface state, to an
unoccupied resonance state of an adsorbed Cs-atom. An one-electron
model potential for Cu(111) by Chulkov et al. [1] is extended by a Cs
adsorbate potential to determine energies and lifetimes of electronic
states of Cs/Cu(111) at low coverage. In addition, empirical nuclear
potential energy surfaces of the electronic ground and the antibonding
excited state along the Cs-Cu distance are constructed. For both models,
electronic and nuclear, we perform open-system quantum dynamics
with the goals: (i) to estimate the excitation (charge transfer) and Cs
desorption probabilities [2], (ii) to optimize the charge transfer process
by laser pulse shaping using optimal control theory [2], and (iii)
to increase the negligible desorption yield of Cs from the Cu surface,
obtained from direct UV excitation, by vibrationally pre-exciting the
Cs-Cu bond using a THz-laser pulse [3].
[1] E. V. Chulkov, V. M. Silkin, P. M. Echenique, Surf. Sci. 437, 330
(1999).
[2] D. Kröner, T. Klamroth, M. Nest, P. Saalfrank, Appl. Phys. A 88,
535 (2007).
[3] D. Kröner, S. Klinkusch, T. Klamroth, Surf. Sci., accepted (2007).

O 53: Surface Nanopatterns
Wednesday
Time: Wednesday 15:15–18:30 Location: MA 043
O 53.1 (479) Wed 15:15 MA 043
Investigation of surface modifications induced by swift heavy
ions in the MeV regime. Part I: Experiment — •Sevilay
Akcöltekin and Marika Schleberger — Universität Duisburg-
Essen, Fachbereich Physik, Lotharstrasse 1, 47048 Duisburg
Over the past few years, ion-induced track formation on various crystal
surfaces have been observed in many studies. Depending on the energy
and charge state of the projectile-ions as well as the target properties,
track production can turn out differently. Experimental investigation
of track creation on different sample surfaces with energetic heavy
131 Xe 23+ (0.71 MeV/u) and 207 Pb 28+ (0.51 MeV/u) projectiles in
the electronic stopping regime are discussed in the present work. Focusing
on two classes of target materials such as oxides (SrTiO3, TiO2,
Al2O3) and highly oriented pyrolytic graphit (HOPG), we present experimental
data on (AFM, STM) track formation after irradiation at
varying angle of incidence from 90 ◦ down to 0.3 ◦ . Especially at grazing
angle of incidence, elongated chains of nanohillocks with lengths of
about several hundred nanometers can be created. A statistical analysis
of the track length and distance between the neighboring hillocks
shows a strong dependence on the angle of incidence. Based on these
experimental results a new approach describing the track formation
could be developed.
O 53.2 (475) Wed 15:30 MA 043
Investigation of surface modifications induced by swift heavy
ions in the MeV regime. Part II : Theory — •Orkhan
Osmani 1,2 and Marika Schleberger 1 — 1 Universität Duisburg-
Essen, Fachbereich Physik, Lotharstrasse 1, 47048 Duisburg — 2 TU
Kaiserslautern, Fachbereich Physik, Gottlieb-Daimler-Straße, 67653
Kaiserslautern
In the last few years various experiments on ion-solid interactions have
been performed. In a recent experiment structural chain like surface
modifications with chain length up to some micrometers have been
observed. These modifications are strongly dependent on the angle
of incidence and believed to be created by local melting of the solid
due to the energy transfer of the ion to the solid. An new model will
be presented which is capable to describe the energy loss of a swift
heavy ion penetrating an insulator like SrTi03 and the creation of the
so called nanodots. At ion energies of several 10 MeV to 100 MeV the
energy loss is due to electronic stopping only. To describe the electronic
excitation induced bye the ion–electron interaction we use an
approach taking the electronic density into account. Time and spatially
resolved energy losses are calculated and used as sourceterms
for the electrons within a Two–Temperature–Modell. Finally, the relaxation
of the electrons by simultaneous phononic excitation leads to
a phononic temperature distribution. In this way, it can be checked
if the phononic temperature is above the melting temperature, thus
leading to a thermal melting.
O 53.3 (128) Wed 15:45 MA 043
X-ray scattering and diffraction from Xe-induced ripples in
crystalline silicon — •Andreas Biermanns 1 , Ullrich Pietsch 1 ,
Souren Grigorian 1 , Jörg Grenzer 2 , Stefan Facsko 2 , Antje
Hanisch 2 , Dina Carbone 3 , and Hartmut Metzger 3 — 1 Universität
Siegen, Germany — 2 Foschungszentrum Dresden-Rossendorf, Germany
— 3 ID01 beamline, ESRF, France
The formation of surface-nanostructures with a characteristic size
ranging from several nanometer up to microns has attracted significant
interest in the last decades in the context of fabrication of novel
opto-electronic and storage devices. One kind of those nanostructures
are wave-like patterns (ripples) produced by an interplay between a
roughening process caused by ion beam erosion (sputtering) of the
surface and smoothening processes caused by surface diffusion. In this
contribution we report on investigations of patterned Si (001) surfaces
after irradiation with Xe + -ions using ion-energies up to 40keV. During
the sputtering, an amorphous surface-layer is formed followed by a
rather sharp interface towards crystalline material, showing the same
morphology as the surface. The structures of the amorphous layer and
the amorphous-crystalline interface were studied by means of grazingincidence
- small angle scattering (GISAXS) and diffraction (GID)
using synchrotron-radiation. We found that the crystal structure at
the interface is expanded along the ripples, caused by the creation of
defects inside the surface region, whereas this expansion is strongly reduced
across the ripples. This different relaxation may play a driving
role in pattern formation at the interface.
O 53.4 (243) Wed 16:00 MA 043
High energy Xe + ion beam induced ripple structures on silicon
— •Antje Hanisch 1 , Joerg Grenzer 1 , Stefan Facsko 1 , Ingolf
Winkler 1 , Andreas Biermanns 2 , Souren Grigorian 2 , and
Ullrich Pietsch 2 — 1 Forschungszentrum Dresden-Rossendorf, Institute
for Ion Beam Physics and Materials Research, Bautzner Landstrasse
128, 01328 Dresden, Germany — 2 University of Siegen, Institute
of Physics, Walter-Flex-Strasse 3, 57078 Siegen, Germany
Ion beam bombardment on semiconductor surfaces leads to welldefined
morphological structures in the nanoscale range. Due to the
impact of ions a self-organized wave-like surface structure develops.
Ion bombardment causes an amorphization of a surface-adjacent layer
of several nanometers and creates a periodical structure on the surface
as well as at the amorphous-crystalline interface. We investigate the
dependence of the periodicity on the crystallography of (100) silicon
bombarded with Xe + ions, the ion beam incidence and the azimutal
angle of the sample surface. So far we found that the ripple wavelength
scales with the ion energy in a range of 5 to 70 keV. In order to understand
the initiation of the ripple formation we also ask the question
which role the initial surface structure plays. Therefore we investigate
the formation of ripples on pre-structured and rough surfaces such as
wafers with an intentional miscut. Therefore, we not only introduce
a certain initial roughness but also vary the orientation of the (100)
lattice plane in respect to the surface. We try to distinguish between
ion beam induced surface effects (sputter erosion) and the influence of
the crystalline Si lattice (strain) on the ripple formation.
O 53.5 (318) Wed 16:15 MA 043
Continuum model for pattern formation on ion-beam eroded
surfaces under target rotation — •Karsten Dreimann and Stefan
Jakob Linz — Institut für Theoretische Physik, Universität
Münster, Wilhelm-Klemm-Straße 9, 48149 Münster, Germany
A recently proposed continuum model [1] for the formation of nanostructures
on semiconductor surfaces generated by low-energy ion-beam
erosion under normal and oblique ion incidence is generalized to the
case of additional target rotation. After transformation, this model
takes on the form of a driven damped isotropic Kuramoto-Sivashinsky
equation. Primary focus of our investigation [2] is the theoretical analysis
of the competition of flat, hexagonal and square-like surface structures
as function of the external rotation rate and the sputtering time.
As a major result, we find that target rotation stabilizes the occurence
of flat surfaces. Comparison with recent experimental results will also
be given.
[1] S. Vogel, S.J. Linz, Europhys.Lett. 76, 884-890 (2006)
[2] K. Dreimann, S.J. Linz, unpublished
O 53.6 (319) Wed 16:30 MA 043
Bifurcation behavior of the anisotropic damped Kuramoto-
Sivashinsky equation — Christian Rehwald, Karsten
Dreimann, Sebastian Vogel, and •Stefan Jakob Linz — Institut
für Theoretische Physik, Universität Münster, Wilhelm-Klemm-Straße
9, 48149 Münster, Germany
A recently proposed continuum model [1] for the formation of surface
patterns on semiconductor surfaces generated by low-energy ion-beam
erosion under normal and oblique ion incidence is studied in analytical
and numerical details. After transformation, this model takes
on the form of a damped anisotropic Kuramoto-Sivashinsky equation.
Primary focus of our investigation [2] is the theoretical analysis of the
competition of flat, rhombic and ripple-like surface structures and their
stability and bifurcation behavior as function of the entering parameters.
Comparison with recent experimental results will also be given.
[1] S. Vogel, S.J. Linz, Europhys.Lett. 76, 884-890 (2006)
[2] C. Rehwald, K. Dreimann, S. Vogel, S.J. Linz, unpublished
O 53.7 (210) Wed 16:45 MA 043
Electron beam stimulated thermal desorption of oxygen: a
lithographic method — •Jan Rönspies, Tammo Block, Svend
Vagt, and Herbert Pfnür — Leibniz Universität Hannover, Institut

für Festkörperphysik, Appelstr.2, 30167 Hannover, Germany
We explored the structural limits of unconventional electron beam
lithography by directly writing with an electron beam into ultra-thin
SiO2 films. These bare silicon windows structures are suitable for
growing contigous metallic nanowires with thickness of a few monolayers.
These uncovered structures with lateral dimensions down to 10nm
were analyzed futher by tunneling microscopy. The Auger excitation
process (Knotek-Feibelman mechanism) necessary for electron-beam
stimulated thermal desorption of oxygen (EBSTD) allows generation
of ultra-small structures. The subsequent processing step combines
thermal desorption of the remaining monoxide and simultanous etching
promoted by thermally activated silicon atoms, which turns out
to be a strongly anisotropic process close to step edges. Applying
this combination of processes to a regularly stepped Si(557) sample
which consists of a periodic array of small (111) and (112) oriented
mini-facets with an average periodicity of 5.7nm normal to the steps,
line widths close to the resolution of the electron microscope of 5nm
were obtained. Thus exploitation of the quantized nature of ultrasmall
structures far above liquid He temperatures becomes feasible as well
as contacting of single molecules.
O 53.8 (146) Wed 17:00 MA 043
A new approach to Electron Beam Chemical Lithography
— •Nirmalya Ballav, Sören Schilp, and Michael Zharnikov —
Angewandte Physikalische Chemie, Universität Heidelberg, 69120 Heidelberg,
Germany
We present a new lithographic technique - electron beam chemical
lithography (EBCL) with aliphatic self-assembled monolayers (SAMs)
as resist materials. The technique is based on irradiation-promoted
exchange reaction (IPER). The key idea of the IPER approach is tuning
the extent of the exchange-reaction between a SAM covering the
substrate and a potential molecular substituent by electron irradiation,
which allows to get binary mixed SAMs of variable composition
depending on the dose. Since the irradiation can be performed by a
focused electron beam, IPER can be directly implemented into the
lithographic framework and used for the fabrication of different chemical
pattern on micro- and nanometer length scales. We demonstrated
a feasibility of such approach by the preparation of chemical templates
for the surface-induced polymerization (SIP) of the test polymer poly-
N-isopropylacrylamide. Using these templates, we fabricated polymer
micro- and nanobrushes in a broad height range. The advantages of
EBCL-IPER are (i) the use of commercially available aliphatic compounds;
(ii) a broad variety of different chemical patterns; and (iii)
much lower patterning dose as compared to aromatic resists used before
for EBCL. The approach is not limited by SIP, but can be used for
different applications, relying on chemical patterning, e.g. biomedical
studies and sensor fabrication.
O 53.9 (599) Wed 17:15 MA 043
Lithographic Fabrication of Clean Oxidic Nanostructures
by Means of Electron-Beam Induced Deposition (EBID)
— •Michael Schirmer, Thomas Lukasczyk, Florian Vollnhals,
Miriam Schwarz, Hans-Peter Steinrück, and Hubertus Marbach
— Universität Erlangen-Nürnberg, Lehrstuhl für Physikalische Chemie
II, Egerlandstraße 3, D-91058 Erlangen, Germany
In this contribution we present a route to generate iron oxide and titanium
oxide nanostructures on different surfaces. The method we
use is electron-beam induced deposition (EBID) in ultra high vacuum
(UHV). Hereby, the beam of a high resolution UHV scanning
electron microscope (SEM, spot size < 3 nm) is exploited to locally
crack certain precursor molecules resulting in a deposit of the non
volatile fragments. Two pathways to generate oxidic nanostructures
are explored: (a) the selective oxidation of clean metallic EBID nanostructures
(FeOx on Rh(110)); (b) the direct EBID deposition of oxide
structures (TiOx on Si(001)) using a metal- and oxygen-containing
precursor molecule. The latter approach leads to deposits, which contain
large amounts of carbon from the precursor molecule titanium
(IV) isopropoxide. Postannealing while dosing oxygen leads to the
formation of clean TiOx nanocrystallites as verified by local Auger
spectroscopy. The growth of the crystallites can be observed in situ by
means of SEM. Latest results and the perspective of this method will
be discussed. This work was supported by the Deutsche Forschungsgemeinschaft
under grant MA 4246/1-1.
O 53.10 (629) Wed 17:30 MA 043
Fabrication of Clean Iron Nanostructures with Arbitrary
Wednesday
Shape via an Electron-Beam Induced Process — •Thomas
Lukasczyk, Michael Schirmer, Hans-Peter Steinrück, and Hubertus
Marbach — Lehrstuhl für Physikalische Chemie II, Universität
Erlangen-Nürnberg, Egerlandstr. 3, D-91058 Erlangen
The generation of pure metallic nanostructures with arbitrary shape is
still a fundamental challenge in the fast growing field of nano science.
Our approach is the technique of electron-beam induced deposition
(EBID) in ultra high vacuum (UHV), in which a highly focused spot
of electrons is utilized to locally crack adsorbed precursor molecules,
resulting in the deposition of non-volatile fragments. An electroncolumn,
integrated in an UHV-Chamber, in combination with a lithographic
package enables the controlled fabrication of nanostructures,
which can be characterized via scanning electron microscopy, scanning
tunneling microscopy and Auger electron spectroscopy. The precursor
iron pentacarbonyl (Fe(CO)5) proved to be very effective for the generation
of pure iron structures on silicon and rhodium single crystal
surfaces. For both substrates the deposits are composed almost completely
of iron. Interestingly, on Si(100), the deposited nanostructures
are discontinuous in shape, consisting of pure iron dots smaller than
10 nm. The deposit purity and appearance is greatly influenced by the
substrate temperature and the surface condition. Furthermore, it will
be discussed that UHV is mandatory to achieve pure metallic deposits.
This work was supported by the Deutsche Forschungsgemeinschaft under
grant MA 4246/1-1.
O 53.11 (671) Wed 17:45 MA 043
Surface nano-patterns with high structural regularity, tunable
properties, and diverse applications — •Yong Lei and
Gerhard Wilde — Institut für Materialphysik, Universität Münster
Ordered arrays of surface nanostructures (nanodots and nanoholes)
and free-standing one-dimensional nanostructures (nanotubes and
nanowires) were fabricated on flat substrates using an UTAM (ultrathin
alumina mask) surface nano-patterning technique. The nanodot
and nanohole arrays were prepared using vacuum evaporation processes
and focused-ion-beam etching, respectively, while the nanowire
and nanotube arrays were prepared using electrochemical processes
and CVD processes. The structural parameters (size, spacing, and
shape) of the UTAM-fabricated surface nanostructures can be adjusted
by controlling the pore size of the UTAMs. The advantages of the
UTAM surface nano-patterning, such as the achievement of tunable
structural parameters and properties, large pattern area, high throughput
and low equipment costs, make the technique suitable for fabricating
ordered surface nanostructures with a broad range of applications
ranging from optical, sensing, and electronics devices.
References: 1. Y. Lei, W.P. Cai, G. Wilde, Prog. Mater. Sci., 52
(2007) 465-539. 2. Y. Lei, Z. Jiao, M.H. Wu, G. Wilde, Adv. Eng.
Mater., 9 (2007) 343-348. 3. Y. Lei, et al., Chem. Mater., 17 (2005)
580-585. 4. Y. Lei, W.K. Chim, H.P. Sun, G. Wilde, Appl. Phy. Lett.,
86 (2005) 103106. 5. Y. Lei, W.K. Chim, J. Weissmuller, G. Wilde, et
al., Nanotechnology, 16 (2005) 1892-1898. 6. Z. Chen, Y. Lei, et al.,
J. Cryst. Growth, 268 (2004) 560-563.
O 53.12 (485) Wed 18:00 MA 043
Ordered nanomasks on Si and SiO2 surfaces for the preparation
of templates on the nanoscale — •Alfred Plettl, Marc
Saitner, Fabian Enderle, Achim Manzke, Christian Pfahler, and
Paul Ziemann — Institut für Festkörperphysik, Universität Ulm, D-
89069 Ulm, Germany
Periodically ordered nanomasks are generated by a micellar technique
[1], a miniemulsion technique [2] and an extension of a well known colloidal
patterning method (Fischer pattern) to the sub100 nm regime by
a new isotropic plasma etching procedure. For template preparation
an ICP-RIE plasma etcher is used subsequently. CF4/CHF3-gas mixtures
were applied for manipulation of Si [3] and SiO2 surfaces. The
order of the masks is transferred into arrays of pillars or holes from the
sub10 nm scale to standard subµm scale with aspect ratios of about 10
for the smallest structures. Combining these unconventional lithography
techniques with the conventional electron beam lithography offers
the possibility for nonperiodic arrangements. Some examples of application
will be given.
[1] G. Kästle et al., Adv. Funct.Mat. 13, 853 (2003).
[2] A. Manzke et al., Adv. Mater. 19, 1337 (2007).
[3] S. Brieger et al., Nanotechnology 17, 4991 (2006).
O 53.13 (553) Wed 18:15 MA 043
Self-organized nano-patterning of solid surface: dependence
on the target material — •Olga Varlamova 1,2 , Guobin Jia 2 ,

and Juergen Reif 1,2 — 1 LS Experimentalphysik II, BTU Cottbus,
Konrad-Wachsmann-Allee 1, 03046 Cottbus — 2 IHP/BTU Joint-Lab,
Konrad-Wachsmann-Allee 1, 03046 Cottbus
Self-organized surface patterns (ripples) were induced on different materials
(dielectrics, semiconductors, metals and amorphous silica)by
femtosecond laser irradiation with intensity below the single-shot damage
threshold. In all cases, the dependence on characteristic features
like irradiation dose and laser polarization was studied in our exper-
Wednesday
iments. It is shown, that general features of the surface patterns do
not depend on the type of material, nor was any correlation to the
atomic structure of the irradiated surface detected. Instead, in all materials
a similarly strong correlation between polarization direction of
the laser beam and the orientation of the ripples is observed. The
main difference between the different targets, however, is the intensity
dependence of typical feature sizes and a specific window of irradiation
dose for each material to produce surface nano-pattering.
O 54: SYSA: Tayloring Organic Interfaces: Molecular Structures and Applications VII (Invited
Speaker: Stephan Roth; FV: DS+CPP+HL+O)
Time: Wednesday 17:45–19:30 Location: H 2013
Invited talk and contributions
O 55: Poster Session III - MA 141/144 (Methods: Atomic and Electronic Structure; Particles
and Clusters; Heterogeneous Catalysis; Semiconductor Substrates: Epitaxy and
Growth+Adsorption+Clean Surfaces+Solid-Liquid Interfaces; Oxides and Insulators: Solid-Liquid
Interfaces+Epitaxy and Growth; Phase Transitions; Metal Substrates: Adsorption of Inorganic
Molecules+Epitaxy and Growth; Surface Chemical Reactions; Bimetallic Nanosystems: Tuning
Physical and Chemical Properties; Oxides and insulators: Adsorption; Organic, polymeric,
biomolecular films; etc.)
Time: Wednesday 18:30–19:30 Location: Poster F
O 55.1 (66) Wed 18:30 Poster F
Lagrange Functions for Electronic Structure Calculations —
•Christine Broelemann, Peter Krüger, and Johannes Pollmann
— Institut für Festkörpertheorie, WWU Münster
We have examined the efficiency of Lagrange functions, as compared to
plane waves, for calculating electronic properties of atoms, molecules,
solids and surfaces within density functional theory. Real space Lagrange
functions provide – like plane waves – an orthonormal and
complete basis set. Our results show that the efficiency of both methods
is the same for bulk calculations. In contrast to the plane wave
method, however, it is possible within the Lagrange function method
to conveniently adapt the real space grid for a given system. Taking
advantage of this fact, the number of grid points can be reduced in vacuum
regions, in particular. Lagrange functions can be used for periodic
as well as for finite systems alike. It turns out that they are particularly
useful for electronic structure calculations of charged systems.
Problems occuring within the plane wave method due to long-range
Coulomb interactions can be avoided that way.
O 55.2 (294) Wed 18:30 Poster F
Combined direct and inverse photoemission experiment: A
thorough characterization of energy, angle and spin resolution
— •Michael Budke, Tobias Allmers, and Markus Donath
— Physikalisches Institut, WWU Münster, Wilhelm-Klemm-Str. 10,
48149 Münster
We present an experimental setup that combines spin- and angleresolved
direct (PE) and inverse photoemission (IPE) in one UHV
chamber [1], allowing measurements of the spin-resolved electronic
structure below and above the Fermi level of the same sample preparation.
The system for PE operates with a gas discharge lamp and an
electron analyzer combined with a SPLEED detector. Our spectrometer
for IPE [2] is home-made and comprises a spin-polarized electron
source and energy-selective Geiger-Müller counters for photon detection.
The achievable energy resolutions are better than 50 meV for
PE and better than 200 meV for IPE. The latter value states an improvement
of a factor of two compared to other state-of-the-art IPE
spectrometers. The high energy resolution makes the setup especially
suitable for studies in the close vincinity of the Fermi level.
In this contribution, the two spectrometers are characterized concerning
energy and angle resolution by means of the Fermi-level crossing
of the L-gap surface state on Cu(111). Spin-resolved measurements
of Co/Cu(100) will be presented combined with a characterization of
the spin polarization of the electron beam and the Sherman function
of the SPLEED detector. [1] M. Budke et al., RSI 78, (in press).
[2] M. Budke et al., RSI 78, 083903 (2007).
O 55.3 (494) Wed 18:30 Poster F
Two-photon Photoemission spectroscopy of the clean and
alkali-doped 1T-TiSe2 transition-metal dichalcogenide —
•Martin Wiesenmayer, Jens Buck, Timm Rohwer, Kai Rossnagel,
Lutz Kipp, and Michael Bauer — Institut für Experimentelle und
Angewandte Physik, Universität Kiel, 24098 Kiel, Germany
The transition-metal dichalcogenide 1T-TiSe2 has attracted considerable
attention in the recent past due to a structural phase transition
at T ≈ 200 K accompanied by the formation of a charge density wave
(CDW) state. In a two-photon photoemission (2PPE) study we investigated
the electron excitation spectra of these two phases in the
vicinity of the Γ point of the Brillouin zone and their modification due
to the adsorption and intercalation of different alkali species. We are
able to identify a characteristic excitation band as well as phase- and
intercalation specific modifications in the vicinity of the Fermi edge.
Our experiments are furthermore supported by time-resolved 2PPE
measurements addressing the ultrafast decay dynamics of the electron
excitations. Our results will be discussed under consideration of corresponding
results from past photoemission and inverse photoemission
studies.
O 55.4 (592) Wed 18:30 Poster F
Atomically Resolved Kelvin Probe Force Microscopy Measurements
Analysed by a nc-AFM simulator — •Thilo
Glatzel 1 and Laurent Nony 2 — 1 Department of Physics, University
of Basel, Klingelbergstr. 82, 4056 Basel, Switzerland — 2 L2MP,
UMR CNRS 6137, Univ. d’Aix-Marseille III, 13397 Marseille Cedex
20, France
Amplitude-Modulation Kelvin probe force microscopy (AM-KPFM)
experiments have shown frequently atomically resolved contact potential
difference (CPD) images. In this work, we report numerical investigations
performed with a modified scheme of our nc-AFM simulator
[1], with the goal to address the origin of such a contrast.
For that purpose, the core of our simulator has been modified to
mimic the AM-KPFM setup. In AM-KPFM, the bias voltage that is
applied between the tip and the surface is modulated at a frequency
that matches the one of the second eigenmode of the cantilever. The
long-range, short-range and electrostatic forces used to describe the
system are derived from analytical expressions. The coupling between
the first and the second eigenmodes of the cantilever will also be discussed.
Our results reproduce the experimental observations, thus showing

that atomic variations of the CPD that are observed experimentally
very likely reveal the atomic variations of the electrostatic potential at
the surface of the ionic crystal.
[1] L. Nony et al., Phys Rev B 74, 235439 (2006).
O 55.5 (645) Wed 18:30 Poster F
Photoelectron Spectroscopy at FLASH: Limits and Perspectives
— •Martin Marczynski-Bühlow, Matthias Kalläne, Stefan
Hellmann, Sabrina Lang, Claas Thede, Tim Riedel, Sönke
Harm, Kai Rossnagel, and Lutz Kipp — Institut für Experimentelle
und Angewandte Physik, Universität Kiel, D-24098
The Free Electron Laser in Hamburg (FLASH) produces very brilliant,
ultrashort, and coherent photon pulses in the VUV regime.
Employing high-intensity monochromatic VUV–pulses (hν =
115.5 eV, FEL 3 rd harmonic) delivered by the PG2 beamline of
FLASH we performed angle resolved as well as core–level photoelectron
spectroscopy (PES) on the transition metal dichalcogenide 1T–TaS2
in the Mott insulating phase (T = 140 K). For high photon intensities
strong space charge (SCE) effects have been observed. To determine
the limit where PES is still feasible, the measurements are compared
with simulations of SCEs based on the Barnes & Hut Treecode Algorithm
originally developed for simulating planetary movements. Furthermore,
the perspectives of PES with FEL light in terms of timeresolved
pump-probe experiments, spatially and angularly resolved
PES with photon sieves [1], and the influence of high photon intensities
on the momentum resolved electronic structure as well as on the
photoemission process itself will be illustrated.
This work is supported by the Innovationsfond des Landes Schleswig-
Holstein.
[1] L. Kipp, M. Skibowski, R. L. Johnson, R. Berndt, R. Adelung,
S. Harm and R. Seemann, Nature 414, 184 (2001).
O 55.6 (653) Wed 18:30 Poster F
Electronic structure of the non-polar GaN(1100) surface —
•Marco Bertelli 1 , Peter Löptien 1 , Jörg Malindretos 1 , Martin
Wenderoth 1 , Rainer G. Ulbrich 1 , Angela Rizzi 1 , Maria Clelia
Righi 2 , and Alessandra Catellani 2,3 — 1 IV. Physikalisches Institut
and Virtual Institute of Spin Electronics (VISel), Georg-August
Universität Göttingen, D-37077 Göttingen, Germany — 2 CNR-INFM
National Center on nanoStructures and bioSystems at Surfaces (S 3 )
and Dipartimento di Fisica, Università di Modena e Reggio Emilia, I-
41100 Modena, Italy — 3 CNR-IMEM, Parco Area delle Scienze, 37A,
I-43010 Parma, and (S 3 ), Italy
Cross-section scanning tunneling microscopy (STM) and scanning tunneling
spectroscopy (STS) have been performed on the non-polar
GaN(1100) surface (m-plane).
The unintentionally n-doped GaN(0001) samples were thinned down
to ∼ 100 µm , cleaved along the m-plane in ultra high vacuum and
measured in-situ by STM at room temperature. The experimental
empty state topographies collected with sample bias from +2.9 V to
+4.0 V show an unreconstructed surface.
First principle DFT-LDA calculations of the surface electronic properties
were performed. In agreement with experiment, the calculations
predict a relaxed surface but no reconstruction. Two surface bands
appear inside the semiconductor band gap at the borders of the surface
Brillouin zone, one empty band localized on the Ga-atoms and
one filled band on the N-atoms. Up to now this theoretical prediction
has not been confirmed by the STS experiment.
O 55.7 (687) Wed 18:30 Poster F
Electronic structure of transition metal dichalcogenide misfit
compounds — •Matthias Kalläne, Kai Roßnagel, and Lutz
Kipp — Institute for Experimental and Applied Physics, University of
Kiel, D-24098 Kiel, Germany
The incommensurate layered transition metal dichalcogenide (TMDC)
misfit compounds are composed of alternatingly stacked slabs of hexagonally
ordered TMDCs and cubic monochalcogenides, leading to a lattice
mismatch in one direction parallel to the surface. In spite of the
incommensurability, however, the slabs are in a very high stacking order
perpendicular to the layers and the crystals show a high stability.
In order to investigate the bonding perpendicular to the layers and
the influence of the incommensurability on the electronic structure we
have employed angle–resolved photoelectron spectroscopy on different
TMDC misfit compounds. By studying the electronic structure at
the Fermi surface, we could directly observe a charge transfer to the
TMDC layers, while the electronic band dispersion perpendicular to
the layers was found to be negligible. Therefore, the interlayer bonding
Wednesday
seems to be dominated by ionic contributions, similar to intercalated
TMDC compounds. To reveal possible incommensurability effects we
have analyzed the band dispersion in different crystal directions and
have found signatures of both subsystems in the electronic structure.
The photoemission experiments were carried out at the ALS in
Berkeley. Work at the University of Kiel is supported by DFG
Forschergruppe FOR 353.
O 55.8 (174) Wed 18:30 Poster F
Plasma Electrochemistry in Ionic Liquids: Deposition
of Copper-Nanoparticles — •Mareike Brettholle 1 , Oliver
Höfft 1 , Sebastian Mathes 2 , Sherif Zein El Abedin 1 , and Frank
Endres 1 — 1 Institut für Metallurgie, TU Clausthal, 38678 Clausthal-
Zellerfeld, Germany — 2 Institut für Physik und Physikalische Technologien,
TU Clausthal, 38678 Clausthal-Zellerfeld, Germany
Ionic liquids are a highly interesting group of solvents for electrochemical
processes - mainly due to the combination of their high electrical
conductivity, their electrochemical stability and their ability to dissolve
a wide range of compounds [1]. Due to their low vapour pressure low
pressure plasmas can easily be applied. The idea is to use the free electrons
of the plasma to reduce the dissolved metal atoms in the liquid
and generate this way the metal particles. In ionic liquids this principle
was utilized recently by Meiss et al. [2]. Here we present our results
using an argon plasma as electrode for the electrochemical deposition
of copper nanoparticles (5-100 nm) from a Cu solution in 1-butyl-
1-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide [BMP]Tf2N
and 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide
[EMIm]Tf2N. XPS, REM, EDX and Dynamic light scattering (DLS)
were used to characterise the particles. [1] F. Endres, S. Zein El Abedin
, Phys. Chem. Chem. Phys., 8 (2006) 2101; [2] S. A. Meiss, M.
Rohnke, L. Kienle, S. Zein El Abedin, F. Endres and Jürgen Janek,
Chem. Phys. Chem., 8 (2007) 50
O 55.9 (182) Wed 18:30 Poster F
Fluorescence in the presence of metallic nanoparticles —
•Philipp Reichenbach, Thomas Härtling, and Lukas M. Eng —
Institut für Angewandte Photophysik, Technische Universität Dresden,
01062 Dresden, Germany
When fluorescent molecules (being excited by incident light) are placed
in the neighbourhood of metallic nanoparticles, big changes of the observed
fluorescence rate can occur. On the one hand, the excitation
of the molecule can be strongly enhanced as a result of the scattering
of the exciting light at the nanoparticle. On the other hand,
part of the fluorescent radiation will be absorbed by the nanoparticle.
The dependence of these two factors from the system parameters
like excitation wavelength, relative position of molecule and particle
as well as surrounding medium was investigated. As a result, we are
able to clearly identify set-ups for which enhanced fluorescence microscopy/spectroscopy
becomes feasible.
O 55.10 (200) Wed 18:30 Poster F
Ab initio study on electronic and optical properties of silicon
nanocrystals embedded in SiO2 matrices — •Kaori
Seino 1 , Friedhelm Bechstedt 1 , and Peter Kroll 2 — 1 Institut
für Festkörpertheorie und -optik, Friedrich-Schiller-Universität, Jena,
Germany — 2 Department of Chemistry and Biochemistry, University
of Texas at Arlington, Arlington, TX, USA
Although a high control of size and arrangement of Si nanocrystals
(NCs) embedded in a SiO2 can be obtained experimentally, theoretical
works for Si NCs embedded in SiO2 are limited. We study electronic
and optical properties for Si NCs embedded in an amorphous
SiO2 matrix by means of first-principles calculations. Many theoretical
results are available for hydrogenated Si NCs. We investigate the
dependence on the diameter of the Si NCs, varying in the range from
0.8 to 1.6 nm. The calculations for optical properties have been widely
performed within the independent-particle approximation. The results
for Si NCs embedded in SiO2 are compared with the corresponding
results for hydrogenated Si NCs of the same size. The electronic confinement
effects are much reduced with respect to crystallites without
host. The optical absorption spectra show a pronounced peak somewhat
blueshifted to the bulk E2 peak similarly to measured spectra.
We extract dielectric functions of the NC material from the calculated
spectra using different effective-medium theories.
O 55.11 (340) Wed 18:30 Poster F
WnSm-Clusters: Possible Building Blocks for New Nano-
Materials? — Wilko Westhäuser 1 , •Tobias Mangler 1 , Tim

Fischer 1 , Sibylle Gemming 2 , Gotthard Seifert 2 , and Gerd Ganteför
1 — 1 University of Konstanz, Germany — 2 University of Dresden,
Germany
Since bulk WS2 forms layered structures similar to bulk graphite, this
material might also built up stable cage-like fullerene structures. Large
graphite-like structures (multiwall fullerenes, nanotubes) have been
found in TEM experiments, but so far no anorganic fullerenes have
been detected in the size regime of C60. Thus, we started a search for
WS2 fullerenes by combining gas phase and deposition experiments. In
the gas phase, we identified a variety of different structures (nanowires,
nanoplatelets) in the size regime up to 30 metal atoms [1-3].
To investigate the suitability as building blocks, in a first attempt
small size-selected WnSm-clusters were soft-landed on Ag- and Sisubstrates
at ultrahigh vacuum conditions. These samples were analysed
via HREELS and XPS. The HREELS spectra are different for the
different cluster sizes indicating that these clusters survived the softlanding
on the substrate and do not coalesce to bulk-like structures.
[1] S. Gemming, J. Tamuliene, G. Seifert, N. Bertram, Y.D. Kim and
G. Ganteför, Appl. Phys. 82, 161 (2006)
[2] N. Bertram, Y.D. Kim, G. Ganteför, Q. Sun, P. Jena, J. Tamuliene
and G. Seifert, Chem. Phys. Lett. 396, 341 (2004)
[3] N. Bertram, J. Cordes, Y.D. Kim, G. Ganteför, S. Gemming and
G. Seifert, Chem. Phys. Lett. 418, 36 (2006)
O 55.12 (543) Wed 18:30 Poster F
Crystal structure of transition metal oxide nano particles synthesized
form ferritin — •Michael Krispin, Florian Sedlmeir,
Aladin Ullrich, and Siegfried Horn — Lehrstuhl für Experimentalphysik
II, Universität Augsburg, D-86135 Augsburg
We have investigated the local crystal structure of nanosized transition
metal oxides by extended x-ray absorption fine structure (EX-
AFS). Iron and cobalt oxide nanoparticles of different diameters were
produced by thermal treatment of horse spleen ferritin molecules and
remineralized apo-ferritin molecules, respectively. The structure of
these particles was compared to various iron oxide and ferrihydrite
references as well as cobalt oxide references. The Fourier transformed
(FT) EXAFS spectra of the iron oxide nanoparticles differ significantly
from hematite and maghemite reference spectra and change systematically
as a function of particle diameter, signalling a corresponding
evolution of the structure. A possible explanation therefore is the mixture
of hematite and magehmite phases in a core-shell model, in which
the fraction of a γ-Fe2O3 like particle shell increases while the hematite
core decreases with decreasing particle size. In the case of cobalt oxide
nanoparticles we find good agreement of the FT EXAFS spectra to
the Co3O4 reference.
O 55.13 (548) Wed 18:30 Poster F
Interaction of slow highly charged ions with surfaces —
•Christian Haake, Thorsten Peters, Andreas Wucher, and
Marika Schleberger — Universität Duisburg-Essen, Lotharstraße
1, 47048 Duisburg, Germany
A new ion beam installation has been built to investigate the mechanisms
of energy dissipation in a substrate after the impact of highly
charged ions. First experiments at the TU Wien made successful use
of metal-insulator-metal (MIM) junctions to measure electronic excitations
in the irradiated metal [1]. These MIM-junctions offer the
unique possibility to detect excitations below the work function which
limits the external emission of electrons. In order to separate effects
induced by either the kinetic or the potential energy of the projectile,
both contributions need to be controlled independently. In the Vienna
experiment the ions had medium charge states of q=1 up to to q=8
and kinetic energies of 400 eV to 12 keV. The new set-up offers higher
charge states and is designed for kinetic energies of less than 100 eV/q.
This will enable us to produce extremely slow highly charged ions. In
addition, external electron emission as well as secondary and neutral
mass spectrometry (SIMS/SNMS) will be used to follow the external
pathways of energy dissipation.
[1] T. Peters, C. Haake, D. Diesing, D. Kovacs, A. Golczewski, G.
Kowarik, F. Aumayr, A. Wucher and M. Schleberger, Hot electrons
created by (rather) cold ions, submitted to Phys. Rev. Lett.
O 55.14 (623) Wed 18:30 Poster F
Swift Heavy Ion (SHI) modification of Ag/Au-TiO2
nanocomposite thin films prepared by co-sputtering.
— Venkata Sai Kiran Chakravadhanula 1 , Venkata Girish
Kotnur 1 , Amit Kulkarni 1 , Yogendra Kumar Mishra 2 , Devesh
Kumar Avasthi 2 , Dietmar Fink 3 , Thomas Strunskus 1 , •Vladimir
Wednesday
Zaporojtchenko 1 , and Franz Faupel 1 — 1 Chair for Multicomponent
Materials, Institute for Materials Science, Christian-Albrechts
University at Kiel, Kaiserstr. 2, Kiel, Germany, 24143. — 2 Inter
University Accelerator Centre, New Delhi, India, 110067. — 3 Hahn
Meitner Institut, Glienicker Str. 100, Berlin, Germany, 14109.
Ag-TiO2 and Au-TiO2 nanocomposites with different volume fractions
of metal nanoparticles were prepared by co-sputtering. The morphology
of these nanocomposites was investigated by transmission electron
microscopy (TEM). Metal volume fractions were determined by SEM-
EDX. Optical characterization of these nanocomposites was carried
out using UV/Vis/NIR spectroscopy. The nanocomposites were then
irradiated by Swift Heavy Ions (SHI) with 100 MeV (Ag 8+ ions) at
different fluences ranging from 1 X 10 12 to 1 X 10 13 ions/cm 2 . The
extinction spectra of the pristine samples show plasmon resonances at
wavelengths which depend on the volume fraction of metal, particle
size and morphology of the composites. The influence of the SHI fluences,
on the microstructure and the extinction spectra were observed.
The changes in the properties of these nanocomposites are discussed
in terms of ion-material interactions.
O 55.15 (646) Wed 18:30 Poster F
X-Ray Absorption (XAS) and Magnetic Circular Dichroism
(XMCD) Measurements of Mn6Cr Single-Molecule-Magnets
Adsorbed on Various Surfaces — •Fabian Merschjohann 1 ,
Aaron Gryzia 1 , Armin Brechling 1 , Marc D. Sacher 1 , Ulrich
Heinzmann 1 , Maik Heidemeier 2 , Thorsten Glaser 2 , Sönke Voss 3 ,
Mikhail Fonin 3 , Michael Burgert 3 , Ulrich Rüdiger 3 , and Eberhard
Goering 4 — 1 Dep. of Physics, Bielefeld University — 2 Dep. of
Chemistry, Bielefeld University — 3 Dep. of Physics, Konstanz University
— 4 MPI für Metallforschung, Stuttgart
We report on the electronic configuration of Mn6Cr-Single-Molecule
Magnets (SMM) adsorbed on various surfaces. We investigated the
substrate/molecule interaction, in particular the exchange of the electrons
with the substrate. The manganese atoms of the Mn6Cr-SMM
are trivalent. X-Ray absorption measurements at the Mn-L2- and L3edge
indicated a certain amount of divalent Mn-atoms. This suggests
a reduction of the Mn6Cr molecules due to an electron transfer to the
substrate. This transfer depends on the electronic configuration of the
substrate material. Thus we investigated Mn6Cr-SMM adsorbed on
insulating (SiO2), metallic (Au) and semiconducting (Highly Ordered
Pyrolytic Graphite HOPG) materials. To determine the fraction of
Mn II - and Mn III -ions we calculated the measured spectral shape by
using di- and trivalent reference spectra. We will also show XMCD
measurements of the adsorbed SMM performed at BESSY in Berlin
which reflect the expected magnetic configuration of Mn and Cr.
O 55.16 (148) Wed 18:30 Poster F
STM-Study of clean ZnO surfaces and Cu growth on ZnO
— •Kroll Martin, Kuschel Thomas, Löber Thomas, and Köhler
Ulrich — Ruhr Universität Bochum, Experimentalphysik IV - AG
Oberflächen, Bochum, Germany
STM was used to study the polar, zinc terminated ZnO(0001)-Zn surface,
the polar, oxygen terminated ZnO(0001)-O surface and the nonpolar,
mixed terminated ZnO(1010) surface. The influence of atomic
hydrogen and water present during different annealing procedures on
the large scale morphology of flat and miscut surfaces was investigated.
The morphology of the clean ZnO(0001)-Zn surface with characteristic
triangular islands changes dramatically when water is present during
annealing and on vicinal ZnO(1010) surfaces the regularity of the step
train is crucially dependent on the preparation conditions.
Additionally the deposition of Cu using MBE and CVD on the zinc
terminated surface were studied. The formation of (111)-orientated
Cu-clusters at room-temperature is followed by in-situ applied STM.
Kink-sites at step edges and especially the apexes of triangular ZnOsubstrate
terraces act as preferred nucleation sites. At room temperature
the decay of small Cu-islands takes place on a time scale of
minutes. Larger Cu-coverages lead to an ensemble of interconnected
3D-islands of uniform height separated by trenches down to the substrate.
Further annealing up to 400 ◦ C points to a partial entrenching
of the islands into the oxide support and (or) an alloy formation.
Lit: Kroll, M.; Köhler, U.; Surf. Sci. 601 (2007) 2182
O 55.17 (208) Wed 18:30 Poster F
Trends in Reactivity: Gold Catalysis — •Guido Walther 1 ,
Søren Jensen 2 , and Sebastian Horch 1 — 1 CAMD, Department of
Physics, DTU, 2800 Lyngby, Denmark — 2 MIC, Department of Micro
and Nanotechnology, DTU, 2800 Lyngby, Denmark

Gold, as the noblest of all the metals, becomes catalytically active for
several chemical reactions, when its particle size is less than 5 nm.
Beside the particle size, there are many other effects, which maybe
contribute to the surprisingly high activity of gold nano-particles, like
support and/or electronic effects. But it is still not understood in detail
yet, what accounts for these unique properties of nano-sized gold.
In a new microreactor setup, CO and H2 oxidation were studied
on TiO2 supported Au catalysts of various well defined particle sizes.
The particle size was confirmed using TEM. To analyze the reaction
products, the microreactor was interfaced to a gas chromatograph.
We show a trend in reactivity in catalysis by gold for these reactions.
By switching the oxidation agent from O2 to N2O, an investigation
whether the rate-limiting step is associated with O2 or CO, was feasible.
This gives an experimental indication that CO oxidation follows
an alternative pathway via a CO–O2 intermediate.
O 55.18 (271) Wed 18:30 Poster F
Homogeneous and front-induced surface transformations
during catalytic oxidation of ammonia over Pt(1 0 0) —
•Florian Lovis 1 , Matias Rafti 2 , Yingfeng Zeng 1 , and Ronald
Imbihl 1 — 1 Institut für Physikalische Chemie und Elektrochemie,
Leibniz-Universitat Hannover, Callinstr. 3-3a, D-30167 Hannover,
Germany — 2 INIFTA, Dto. de Química, Fac. de Cs. Exactas, Universidad
Nacional de La Plata, Diag. 113 y 64, CC 16 suc. 4, (1900)
B1871DCR La Plata, Argentina
The ammonia + oxygen reaction over Pt(1 0 0) single-crystal surface
was studied under UHV conditions using photoemission electron
microscopy (PEEM) as spatially resolving method and work function
measurements via a Kelvin probe and temperature programmed reaction
(TPR) experiments as integral methods. A broad hysteresis in the
reaction rates occurs and one finds reaction fronts as well as spatially
homogeneous transitions in the adsorbate layer.
O 55.19 (532) Wed 18:30 Poster F
Mass selected Ag cluster based catalysis: size and shape effects
— •Kristian Sell 1 , Ingo Barke 1 , Viola von Oeynhausen 1 ,
Karl-Heinz Meiwes-Broer 1 , Stefan Vajda 2 , Sungsik Lee 2 , Yu
Lei 2,3 , Byongdu Lee 2 , Jeffrey W. Elam 2 , Michael J. Pellin 2 ,
Sönke Seifert 2 , Randall E. Winans 2 , Randall J. Meyer 2 , and
Arantxa Fraile-Rodríguez 4 — 1 Universität Rostock, Institut für
Physik, Rostock, Deutschland — 2 Argonne National Laboratory, Argonne,
USA — 3 University of Illinois at Chicago, USA — 4 Swiss Light
Source, Paul Scherrer Institut, Villigen, Switzerland
The exceptional performance of nanocatalysts has motivated intense
research as highly dispersed nanocatalysts are widely used in commercial
applications. Here we study size-selected silver particles under
realistic conditions in a reaction of industrial relevance.
Supported size selected Ag clusters of sub-nm to several nm size are
produced by laser evaporation and an arc charge ion source (ACIS)
and deposited on Al2O3 supports. These are prepared by atomic layer
deposition of thin Al2O3 films on the native silicon oxide surface of
Si wafers. The catalytic properties of the supported clusters are studied
under atmospheric pressure reaction conditions. We use a unique
approach which allows for in situ, real-time monitoring of changes in
size and shape of the nanocatalysts by grazing-incidence small-angle
x-ray scattering (GISAXS) with simultaneous detection of the reaction
products. The relationship between cluster size/shape and its function
in catalytic activity and selectivity in direct epoxidation of propylene
on Ag clusters will be discussed.
O 55.20 (648) Wed 18:30 Poster F
Inverse Au/TiO2 model catalysts studied with in-situ highpressure
XPS — •Dumbuya Karifala, Lucasczyk Thomas,
Schirmer Michael, Marbach Hubertus, Gottfried Michael, and
Steinrück Hans-Peter — Lehrstuhl für Physikalische Chemie II,
Universität Erlangen-Nürnberg
We have prepared and investigated planar inverse TiO2/Au model catalysts
using XPS and SEM. In addition, we have studied the surface
composition and the electronic structure in the presence of CO and
O2 at pressures of up to 1 mbar using high-pressure XPS. The model
systems have been prepared and characterized on a polycrystalline Au
foil and on an Au(111) surface. Initially, we used a recipe reported
by Biener et al.[1] and prepared the TiO2 clusters by vapor deposition
of Ti on the Au surfaces at 300 K, followed by oxidation with O2 at
300 K and annealing at 600-900 K in vacuum. We found that part
of the deposited Ti forms an Au-Ti alloy during this procedure. To
prevent alloying, we have developed a modified procedure in which the
Wednesday
TiO2 clusters are annealed in an O2 atmosphere. SEM images of the
nanoparticles on Au foil show a particle size distribution in the 10 nm
range for an initial Ti coverage of 0.25 ML. At high coverages, exposure
to CO and O2 did not reveal significant changes in the oxidation
states of either Au or Ti, probably because of a buried TiO2/Au interface.
In contrast, at lower TiO2 coverages (initial Ti coverage 0.25
ML) and CO pressures above 0.1 mbar, the in-situ XP spectra show
changes that are attributed to the interaction between CO and Ti. 1.
Biener et al.
O 55.21 (686) Wed 18:30 Poster F
The chemical state of iron during N2O decomposition over
iron modified zeolites ZSM-5: A high-pressure XPS study
— •Karifala Dumbuya 1 , Saiprasath Gopalakrishnan 2 , Wilhelm
Schwieger 2 , J. Michael Gottfried 1 , and Hans-Peter Steinrück 1
— 1 Universität Erlangen-Nürnberg, Lehrstuhl für Physikalische
Chemie II — 2 Universität Erlangen-Nürnberg, Lehrstuhl für Chemische
Reaktionstechnik
Iron containing ZSM-5 zeolites are employed as catalysts for the abatement
of N2O in waste gases and in partial oxidation reactions with
N2O as the oxidant. The chemical state of the active Fe centers during
reaction is unknown; however, it has been speculated that an α-
Fe(II) species is the active site. 1 NaOH-treatment increases the activity,
which has been attributed to the alteration of the Fe centers. 2 We
have studied commercial ZSM-5 (as-supplied and NaOH-treated) using
XPS and in-situ XPS during N2O exposure (pressure ≤ 1 mbar). No Fe
was found in the surface region of the commercial ZSM-5 before or after
ion-exchange with NaOH, contrary to ICP-AES results. As expected,
significant amounts of Fe (mainly in the +2 and +3 oxidation states)
were detectable with XPS, following Fe doping of both catalysts. The
Fe content in the surface region of the NaOH-modified ZSM-5 did not
change with temperature (300-650 K), while the as-supplied sample
showed Fe segregation in this temperature range. Details about the
electronic state of Fe in the Fe doped, NaOH-modified catalyst in the
presence of N2O (5*10 −8 - 1 mbar) will be discussed. [1] Dubkov et
al., J. Catal. 207 (2002) 341. [2] Groen et al., J. Catal. 243 (2006)
212.
O 55.22 (241) Wed 18:30 Poster F
Silver, oxygen and hydrogen deposited on the Bi terminated
prestructured Si/Ge surface — •Vasily Cherepanov and Bert
Voigtländer — Institute of Bio- and Nanosystems (IBN 3), and cni
– Center of Nanoelectronic Systems for Information Technology, Research
Centre Jülich, 52425 Jülich, Germany
Si-Ge based nanostructures like wires or dots are attractive objects
since they are compatible with an existing silicon technology. The
similar nature of Si and Ge allows to grow epitaxial Si/Ge nanostructures
using a surfactant like Bi to suppress Si-Ge intermixing. A well
ordered array of 2-3 nm wide and atomic layer in heigh Ge nanowires
can be formed in a controlled way at Si(111) substrate. However to
utilize the electrical properties of those structures one would need to
increase the difference in the electrical properties of the wires and the
substrate. The Si/Ge structures thus can be used as templates for a
next step of selforganized growth of different material which selectively
bonds to Si or Ge. The challenge is to find a material which at some
condition would stick or interact selectively to Si or Ge. We made an
attempt to explore a possible chemical selectivity for Si and Ge surface.
The Bi covered surface contained Si and Ge areas was exposed
to flux of silver, oxygen and atomic hydrogen at various conditions.
The resulting surface structure was examined by scaning tunneling
microscopy.
O 55.23 (317) Wed 18:30 Poster F
Surface Characterisation of MOCVD Single Source Precursor
Grown GaSb-films — •Andreas Seemayer 1 , Alexander
Hommes 1 , Sascha Hümann 1 , Ralf Hunger 2 , Stephan Schulz 3 ,
and Klaus Wandelt 1 — 1 University of Bonn, Institute for Physical
Chemistry, Wegelerstr. 12, 53115 Bonn — 2 Hahn-Meitner-Institute
Berlin GmbH c/o BESSY, Albert-Einstein-Str. 15, 12489 Berlin —
3 University of Paderborn, Department Chemie, Warburger Str. 100,
33098 Paderborn
III-V semiconductor films used for opto- and microelectronic devices
have traditionally been grown by (MO)MBE and LPE processes. An
alternative metal-organic CVD-process, which has been established
in the last two decades for high-throughput and low-cost fabrication
works for nitrides, phosphides and arsenides, but is problematic for antimonides.
In particular, for GaSb films an alternative route is a CVD-

process using the heterocyclic single source precursor [tBu2GaSbEt2]2.
Subject of the present work is the investigation of the surface physical
properties of the produced films as well as the gas phase behaviour
of the used precursor. Therefore films were produced on a Si(100) substrate
in a HV-MOCVD reactor and investigated using AES, S-XPS
and AFM. In addition, growth experiments under UHV conditions
were performed. The results are discussed in terms of a correlation
of the electronic properties with the composition and structure of the
films.
O 55.24 (350) Wed 18:30 Poster F
Growth of large laser deposited Cu-pyramides on Si at raised
temperatures — •Susanne Seyffarth and Hans-Ulrich Krebs —
Institut für Materialphysik, Universität Göttingen, Friedrich-Hund-
Platz 1, 37077 Göttingen
Thin Cu films were prepared on Si(111) and Si(100) substrates using
pulsed laser deposition (PLD) in ultra high vacuum. Especially the
effect of elevated substrate temperatures on the growth of Cu on Si
was investigated. While for low substrate temperatures closed films
with small grains are observed, for temperatures above 200 ◦ C epitaxial
growth of three dimensional pyramides with edge lengths of a few
micrometers is observed using scanning electron microscopy (SEM)
and atomic force microscopy (AFM). Depending on the orientation
of the substrate the base area of the islands is a triangle for Si(111)
and a square for Si(100). In both cases the height of the pyramides
is up to 500 nm. The epitaxial relationships with the Si substrates,
the dependences of the pyramidal sizes on the number of laser pulses,
the stability of the structures and possibilities for an ordering of the
islands are discussed.
O 55.25 (395) Wed 18:30 Poster F
Magnetic and structural investigations of thin iron layers
on GaAs(001) and GaAs(110) surfaces with and without
an MgO intermediate layer — •Carsten Godde 1 , Sani Noor 1 ,
Christian Urban 1 , Igor Barsukov 2 , Jürgen Lindner 2 , and Ulrich
Köhler 1 — 1 Institut für Experimentalphysik IV/ AG Oberflächen,
Ruhr-Universität Bochum, Germany — 2 Institut für Experimentalphysik
/ Festkörperphysik, Universität Duisburg / Essen, Germany
The structure and the magnetic behaviour of Fe-layers on GaAs(001)
and GaAs(110) were studied in a UHV system that offers the means
for structural analysis by STM and LEED and magnetic characterization
by MOKE during deposition. The preparation of the GaAs(001)
and GaAs(110) polished wafer surfaces consisted of cycles of sputtering
and annealing, in the case of the cleaved GaAs(110) surface no in situ
preparation was necessary. On all samples the structure of the Fe-layer
when grown at 20 ◦ C is strongly influenced by the substrate morphology.
At elevated growth temperature a disrupted Fe-layer develops.
Using MgO as an intermediate layer the structural quality is substantially
reduced. The uniaxial anisotropy of Fe on GaAs(110) surfaces
is profoundly influenced by the MgO intermediate layer. The effect of
annealing up to 500 ◦ C on the structure and the magnetic behaviour
were studied. Although smooth layers with large islands develop, STM
shows that Ga and As from the substrate diffuse to the Fe-island top.
On GaAs(001) the substrate reconstruction changes from an initially
present (2x6) to a As-rich (2x4).
O 55.26 (495) Wed 18:30 Poster F
Magnetic in situ characterization by MOKE and Kerr microscopy
— •Sani Noor, Carsten Godde, Christian Urban,
and Ulrich Köhler — Institut für Experimentalphysik IV, AG
Oberflächen, Ruhr-Universität Bochum, Germany
A UHV system is being introduced that offers both the structural
analysis by LEED and STM and the magnetic analysis by MOKE and
Kerr microscopy of thin films. These can be grown by sets of MBE
sources that are pointing at the sample in the STM, MOKE and Kerr
microscopy positions allowing in situ measurements respectively. Our
focus here shall be the magnetic characterization. The combination of
a longitudinal MOKE setup and polar Kerr microscopy, which is based
on a long distance microscope, enables the recording of magnetization
loops for in and out of plane magnetization. The former provides
angular dependent measurements by azimuthal rotation of the sample,
the latter can be obtained by spatial integration of the acquired
Kerr images. Test measurements have been performed including the
study of the anisotropic behaviour of Fe on InAs(001)(4x2) and the
Kerr microscopy of FeGd ((0.5 nm Fe/0.5 nm Gd) x 70) multilayers
which feature a strong out of plane anisotropy at room temperature
as confirmed by SQUID measurements.
Wednesday
O 55.27 (556) Wed 18:30 Poster F
STM and STS study of atomic and electronic structure of epitaxial
graphene on SiC(0001) — Peter Lauffer 1 , Konstantin
V. Emtsev 1 , Sergey Reshanov 2 , Ralf Graupner 1 , •Thomas
Seyller 1 , Gerhard Pensl 2 , Heiko B. Weber 2 , and Lothar Ley 1
— 1 Lehrstuhl für Technische Physik, Universität Erlangen-Nürnberg,
Germany — 2 Lehrstuhl für Angewandte Physik, Universität Erlangen-
Nürnberg, Germany
Epitaxial growth of graphene on SiC surfaces by solid state graphitization
is a promising route for future development of graphene based
electronics. In the present work we have studied the morphology,
atomic scale structure, and electronic structure of thin films of fewlayer
graphene on SiC(0001) by scanning tunneling microscopy (STM)
and spectroscopy (STS). We discuss the determination of layer thickness
based on atomically resolved images and show that such identification
can be supported by evaluation of the roughness induced by
the interface. We also present and interpret thickness dependent tunneling
spectra, which can serve as an additional fingerprint for the
determination of the layer thickness.
O 55.28 (559) Wed 18:30 Poster F
Morphology of epitaxial graphene films on SiC(0001) determined
by LEEM — Taisuke Ohta 1,2 , Farid El Gabaly 3 , Aaron
Bostwick 1 , Jessica L. McChesney 1 , Konstantin V. Emtsev 4 , Andreas
K. Schmid 3 , •Thomas Seyller 4 , Karsten Horn 3 , and Eli
Rotenberg 1 — 1 Advanced Light Source, Lawrence Berkeley National
Laboratory, Berkeley, California, USA — 2 Fritz-Haber-Institut der
Max-Planck-Gesellschaft, Berlin, Germany — 3 National Center for
Electron Microscopy, Lawrence Berkeley National Laboratory, Berkeley,
California, USA — 4 Lehrstuhl für Technische Physik, Universität
Erlangen-Nürnberg, Germany
Epitaxial films of graphene on SiC surfaces are interesting from a
basic physics as well as applications-oriented point of view. In the
present work we use low-energy electron microscopy (LEEM) and
angle-resolved photoemission (ARPES) to study the morphology of
epitaxial graphene films grown on SiC(0001) by solid state graphitization
in ultrahigh vacuum (UHV). Different layer thicknesses were
witnessed by characteristic electron reflectivity spectra. After relating
these to the thickness dependent π-band structure determined by
ARPES it is possible to unambiguously assign regions in the LEEM images
to the interfacial layer and single-layer as well as bilayer graphene.
This information will aid the improvement of the morphology of large
scale epitaxial graphene films through optimization of preparation conditions.
O 55.29 (710) Wed 18:30 Poster F
Interface investigations for III-V solar cells — •Ulf Seidel,
Henning Döscher, and Thomas Hannappel — Hahn-Meitner-
Institut, Glienicker Str. 100, 14109 Berlin, Germany
III-V multi-junction solar cells currently represent the most efficient
photovoltaic devices. The device structures of the tandem solar cells,
which were prepared in this work via MOVPE, contain many different
layers of III-V semiconductors. For the best performance of the
solar cells a sharp hetero-interface preparation via MOVPE was necessary.
Here, the investigation of two interfaces is presented in detail:
(1) InGaAs/GaAsSb that is needed in the tunnel junction of our low
band gap multi-junction solar cell and (2) Si/GaP that is needed for
the epitaxy of our III-V solar cells on silicon(100) substrates instead
of InP(100). Both interfaces were characterized in-situ during the
MOVPE-growth with reflectance difference spectroscopy (RDS) and
after a contamination free transfer in ultra high vacuum with X-ray
photoelectron spectroscopy (XPS) and low energy electron diffraction
(LEED). Additionally AFM micrographs were recorded.
O 55.30 (712) Wed 18:30 Poster F
Resistance of a single atom: scattering of electrons by single
adatoms and small islands during homoepitaxial growth of
Bi(111) films — •Hichem Hattab, Giriraj Jnawali, Boris Krenzer,
and Michael Horn-von Hoegen — Fachbereich Physik, Universität
Duisburg-Essen, Lotharstr. 1, 47048 Duisburg, Germany
Atomically smooth Bi(111) films on Si(001) were prepared following a
recipe of G. Jnawali et al. (PRB 74 , 195340 (2006)) and were used
as template to study the resistivity change during additional growth
of Bi at 80 K by using a 4-probe technique and SPA-LEED. At very
low Bi coverage of less than 0.01 bilayer (BL) a linear increase of the

film resistivity was observed which suddenly changes to a square root
dependence up to 0.5 BL. This behaviour is explained by a combination
of Venables nucleation theory and Fuchs-Sondheimer behaviour.
At very low coverage each deposited Bi adatom acts as single scatterer,
which ultimately scatters the conduction electrons diffusively.
The linear increase of the resistivity is proportional to the density of
adatoms. With increasing Bi adatom density suddenly stable 2-dim.
islands nucleate, the adatom density drops, and the islands grow in
size at constant island density. Now the electrons are scattered at the
step edges which density increase as square root of the coverage. At
higher coverage the resistivity shows a bilayer oscillation indicating the
oscillation in roughness which is followed by a 1/d behavior described
by Fuchs-Sondheimer. From the slopes of the two initial regimes the
effective cross-section for diffuse scattering of a single Bi adatom and
of a bilayer step edge is calculated.
O 55.31 (311) Wed 18:30 Poster F
Laser Treatment of Stainless Steel — •Christian Holzheu,
Matthias Laske, and Othmar Marti — Institute of Experimental
Physics, University of Ulm, 89069 Ulm, Germany
Laser treatment of stainless steel and the resulting material changes
are studied. By irradiating the steel surface with short laser pulses the
adhesion of polymers and especially fluorinated polymers is improved.
The experiments were designed to evaluate the influence of different
laser parameters on adhesion, surface morphology and composition
and on surface tension. Corrosion behaviour and the durability of the
material after laser treatment in comparison to untreated samples are
studied in long time tests. Salt fog and mechanical pulses are used to
simulate nearly realistic conditions.
O 55.32 (601) Wed 18:30 Poster F
STM studies of surface plasmon mediated laser annealing of
gold films — •Markus Schmotz, Armin Fubel, and Paul Leiderer
— Universität Konstanz, Konstanz, Germany
Using a Kretschmann configuration we illuminate thin polycrystalline
gold films under the surface plasmon resonance angle. Thus, a frequency
doubled Nd:YAG laser locally heats the films at different intensities.
The investigation of structural changes of the gold surfaces
is done in situ by a homebuilt STM. To gain quantitative information
we study FFT-data (fast Fourier transformation) like PSD-spectra
(power-spectrum-density) and autocorrelation functions beneath typical
roughness parameters like RMS (root-mean-square) and MPPvalues
(mean-peak-to-peak). The influence of single and multi-shot
treatment is also determined at higher and lower intensities, respectively.
Preliminary results show broadening and flattening of the typical
gold mounds at low intensities and thus increasing correlation lengths
and grain sizes. Reproducibility checks and analysis of detailed annealing
mechanisms will be reported.
O 55.33 (424) Wed 18:30 Poster F
Interfacial layering of room temperature ionic liquids based
on the tris(pentafluoroethyl)trifluorophosphate anion at the
sapphire interfaces — •Markus Mezger 1 , Heiko Schröder 1 ,
Sebastian Schramm 1 , Harald Reichert 1 , Sebastian Schöder 1 ,
John Okasinski 1 , Moshe Deutsch 2 , Benjamin Ocko 3 , Emerson
De Souza 1 , John Ralston 4 , and Helmut Dosch 1 — 1 Max-
Planck-Institut für Metallforschung, Stuttgart — 2 Bar-Ilan University,
Ramat-Gan, Israel — 3 Brookhaven National Laboratory, Upton, NY,
USA — 4 Ian Wark Research Institute, Adelaide, Australia
A new group of room temperature ionic liquids (RTIL) based on the
tris(pentafluoroethyl)trifluorophosphate (FAP) anion reveals intriguing
features in comparison to conventional molten salts. Especially
the improved chemical and thermal stability make them interesting
candidates for a variety of technological processes. Using high energy
x-ray reflectivity we get access to deeply buried solid-liquid interfaces
and gain real space information with ˚A-resolution. In this study, we
discuss reflection patterns of FAP based ionic liquids, recorded at different
temperatures ranging from the highly supercooled metastable
liquid state to 120 ◦ C. By parameter refinement of a two-component
distorted-crystal model we disclose pronounced layering of the anions
and cations close to the solid wall. With increasing temperature, the
decay length of the interfacial ordering decreases.
O 55.34 (425) Wed 18:30 Poster F
High energy x-ray reflectivity study of the room temperature
ionic liquids [bmim] + [PF6] − and [bmim] + [BF4] −
Wednesday
at solid interfaces — •Sebastian Schramm 1 , Markus Mezger 1 ,
Heiko Schröder 1 , Harald Reichert 1 , John Okasinski 1 , Moshe
Deutsch 2 , Benjamin Ocko 3 , Emerson De Souza 1 , and Helmut
Dosch 1 — 1 Max-Planck-Institut für Metallforschung, Stuttgart —
2 Bar-Ilan University, Ramat-Gan, Israel — 3 Brookhaven National
Laboratory, Upton, NY, USA
Room temperature ionic liquids (RTILs), being composed solely of
ions, are very promising new materials. Their physical properties make
them suitable for many technological processes, e.g. as solvents in catalytic
reactions and electrolysis. In particular for the understanding
of reactions at an interface, knowledge on the spatial arrangement of
the ions at hard walls is essential. In our study, we used high energy
(∼ 70 keV) x-ray reflectivity to probe the structure of these liquids at
the sapphire interface. The results give evidence for interfacial layering
in 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim] +
[PF6] − ), in contrast to 1-butyl-3-methylimidazolium tetrafluoroborate
([bmim] + [BF4] − ) where no layering was found. In combination with
the analysis of the bulk liquid structure factor, the recorded reflection
patterns give both the molecular layer spacing, as well as the decay
length of the spatial ordering. We compare the x-ray scattering results
with optically obtained surface and interfacial tension data to
gain detailed information about the nature of the chemical interaction
between the sapphire substrate and the ions of the RTIL.
O 55.35 (493) Wed 18:30 Poster F
Post annealing investigations of thin praseodymia films
on Si(111) — Sebastian Gevers, •Daniel Bruns, Thomas
Weisemöller, Carsten Deiter, and Joachim Wollschläger —
Fachbereich Physik, Universität Osnabrück, Barbarastr. 7, 49076 Osnabrück,
Germany
Due to its large oxygen capacity and oxygen mobility praseodymia
is interesting for applications in modern heterogenous catalysis. For
instance the selectivity of praseodymia for carbon compounds is advantageous
in olefiant gas synthesis. The investigation of annealing
processes leads to a better understanding of the oxygen transport in
the praseodymia films. In this context thin PrO2 films were annealed
at temperatures from 300 ◦ C up to 600 ◦ C under UHV conditions before
they were analysed with Spot Analysis Profile Low Electron Energy
Diffraction (SPALEED). The diffraction pattern indicates a phase
transition to Pr2o3 at the surface. Furthermore X-Ray Diffraction experiments
(XRD) show a partial subsurface phase transition from PrO2
into various oxidation states including Pr2O3.
O 55.36 (44) Wed 18:30 Poster F
Adsorption of benzene on the Si(001)-(2×1) and the
SiC(001)-(3×2) surfaces – a comparative theoretical study
— •Jürgen Wieferink, Peter Krüger, and Johannes Pollmann
— Institut für Festkörpertheorie, Universität Münster
We have investigated the adsorption of benzene (C6H6) on (001) surfaces
of Si and SiC employing the generalized-gradient approximation
of density functional theory together with norm-conserving pseudopotentials.
Using the quadratic string method [1] we have explored reaction
pathways to possible final adsorption states.
At Si(001)-(2×1), we find C6H6 to initially adsorb via electrophilic
addition in a butterfly configuration by binding two opposite (1,4) carbon
atoms to the silicon atoms of one surface dimer. The energetically
most favorable tight-bridge structure can then be reached by the formation
of two additional bonds between the (2,3) carbon atoms and
an adjacent silicon dimer [2].
At SiC(001)-(3×2), the silicon dimers are further apart from each
other. As a result, this surface cannot feature bridging geometries and
is thus expected to generate an ordered monolayer of butterfly benzene,
where each molecule exhibits two π-bonds that are available for further
reactions. An energetically more favorable dissociated adsorption
structure is also discussed and shown to be kinetically unreachable. Finally,
the electronic structure of the optimized geometries is examined
and discussed.
[1] S. K. Burger, W. Yang, J. Chem. Phys. 124, 054109 (2006)
[2] J.-Y. Lee, J.-H. Cho, Phys. Rev. B 72, 235317 (2005)
O 55.37 (57) Wed 18:30 Poster F
Insulating Ground State of Sn/Si(111)-( p (3) × p (3))R30 ◦
— •Silvio Modesti 1,2,3 , Luca Petaccia 1,4 , Gustavo Ceballos 1,5 ,
Ivana Vobornik 1 , Giancarlo Panaccione 1 , Giorgio Rossi 1 ,
Luca Ottaviano 6 , Silvano Lizzit 4 , and Andrea Goldoni 4 —
1 Laboratorio Nazionale TASC-INFM, S.S. 14 Km 163.5, 34012 Trieste,
Italy — 2 Dipartimento di Fisica, Universita’ di Trieste, v. Valerio 2

I-34127, Trieste, Italy — 3 Institut für Angewandte Physik, Universität
Hamburg, Jungiusstr. 11, D-20355 Hamburg — 4 Sincrotrone Trieste
S.C.p.A., S.S. 14 Km 163.5, 34012 Trieste, Italy — 5 ICN, UAB Campus,
E-08193 Bellaterra (Barcelona), Spain — 6 Universita’ dell’Aquila,
via Vetoio 10, 67010 Coppito-L’Aquila, Italy
The Sn/Si(111)-( p (3) × p (3))R30 ◦ surface, having an odd number of
electrons per surface unit cell, was so far believed to be metallic according
to the electron counting argument. One third of a monolayer
of tin adatoms in the T4 site forms a narrow surface state band that
is half filled, and therefore prone to structural and electronic instabilities.
We show, by using tunneling spectroscopy, scanning tunneling
microscopy, photoemission, and photoelectron diffraction, that below
70 K this surface has a very low density of states at the Fermi level and
is not appreciably distorted [1]. The experimental results are compatible
with the magnetic insulating Mott-Hubbard ground state predicted
by LSDA + U calculations [2]
[1] S. Modesti, et al., Phys. Rev. Lett. 98, 126401 (2007) [2] G.
Profeta and E. Tosatti, Phys. Rev. Lett. 98, 086401 (2007).
O 55.38 (300) Wed 18:30 Poster F
First-Principles Investigation of an Epitaxial Silicon Oxynitride
Layer on a 6H-SiC(0001) Surface — •Peter Krüger,
Björn Baumeier, and Johannes Pollmann — Institut für
Festkörpertheorie, Universität Münster
Recently, Shirasawa et al. [1] have experimentally shown that incorporation
of nitrogen at the interface of a silicate adlayer on 6H-SiC(0001)
leads to the formation of a well ordered, highly stable epitaxial silicon
oxynitride (SiON) layer without dangling bond states. Scanning tunneling
spectroscopy data for this system show an amazingly large band
gap of about 9 eV.
We have investigated the structural and electronic properties of
this novel system by employing density functional theory with selfinteraction-corrected
pseudopotentials. Our results support the structural
model inferred from low-energy electron data [1]. In addition,
our calculated filled- and empty-state scanning tunneling microscopy
images are in excellent agreement with the experimental data clearly
revealing that the O and Si surface states, respectively, of the silicate
double-layer on top of the system give rise to the observed images.
The calculated surface band structure exhibits a surface band gap of 9
eV whose physical origin is clarifed. Further investigations show that
SiON overlayers on 6H-SiC(0001) and 6H-SiC(000¯1) have qualitatively
different electronic structures. While the former is free from gap states,
the latter possesses two N-derived states in the fundamental band gap.
[1] Shirasawa et al., Phys. Rev. Lett. 98, 136105 (2007)
O 55.39 (505) Wed 18:30 Poster F
Energy barriers for dissociative adsorption of H2 molecules
on Si, SiC, and diamond (001) surfaces: A comparison —
•Xiangyang Peng 1 , Peter Krüger 2 , and Johannes Pollmann 2 —
1 Department of Physics, Uppsala University, SE-75121 Uppsala, Sweden
— 2 Institut für Festkörpertheorie, Wilhelm-Klemm-Str. 10, 48149
Münster
We report first-principles investigations of the reaction of molecular
hydrogen with the Si(001)-(2×1) and C(001)-(2×1) surfaces and discuss
the results in light of our previous studies of H2 reaction with
two different SiC(001) surfaces, one of which is highly reactive to H2
uptake. The calculations reveal that the reaction of H2 with all above
surfaces depends crucially on intricate combined effects of the substrate
lattice constant, the arrangement of the surface dimers as well
as the orientation and spatial extent of their dangling bond orbitals.
In agreement with experiment, our results confirm that Si(001) and
C(001) are inert to H2 adsorption at room temperature because all
adsorption pathways considered exhibit substantial energy barriers.
They are in satisfying agreement with previous density functional and
quantum Monte Carlo calculations which have been carried out for two
specific reaction pathways only. Guided by our earlier studies on H2
reaction with SiC(001) surfaces, we have considered a third reaction
pathway which actually turns out to have the lowest energy barrier on
C(001). A comparison of the energy barriers and reaction energies for
the different surfaces addressed turns out to be particularly revealing.
O 55.40 (39) Wed 18:30 Poster F
Laser Activated Vapour Phase Processes for Silicon Substrate
Cleaning — •Ulrich Abelein, Andreas Assmuth, Torsten
Sulima, and Ignaz Eisele — Universität der Bundeswehr München,
Institut für Physik, Werner-Heisenberg-Weg 39, 85577 Neubiberg, Germany
Wednesday
One of the most important issues in today’s nanoelectronics fabrication
is the in situ cleaning of silicon substrates, i. e. the removal of
organic impurities and SiO2, before epitaxial growth.
The currently used vapour phase methods, like the hydrogen bake,
require high process temperatures above 800 ◦ C to activate the chemical
reaction which leads to the desired effect. To avoid the diffusion of
dopands or the formation of SiC clusters during the cleaning process
a reduction of the necessary temperature below 700 ◦ C is desirable.
Possible solutions to achieve this aim are the activation of the gas
molecules by a plasma source or by laser light. As plasma processes
cause damages to insulating layers and roughen the surface the use of
a laser to provide the energy is more suitable.
We have integrated a process chamber, equipped with a 193 nm ArF
Excimer Laser and up to four gases, in an UHV cluster tool. The laser
beam is guided parallel to the substrate to ensure that only the gas
molecules are affected and not the silicon. An RTP lamp heater can be
used to adjust the substrate temperature independent from the laser
energy. The efficiency of this approach will by demonstrated by the
results achieved with a cleaning process using laser activated GeH4 to
remove carbon and SiO2.
O 55.41 (711) Wed 18:30 Poster F
The interface between diamond and aqueous electrolyte —
•Markus Dankerl, Moritz Hauf, Ulrich Stützel, Andreas Reitinger,
Jose Garrido, and Martin Stutzmann — Walter Schottky
Institut, Technische Universität Müunchen, Am Coulombwall 3, 85748
Garching
Diamond, which is terminated with hydrogen at the surface, shows
the intriguing property of being p-type surface conductive with a twodimensional
hole gas forming beneath the surface. If brought into
electrolyte solutions, this surface conductivity shows a dependence on
the diamond electrode potential. This allows for the fabrication of inplane
FETs with the electrolyte functioning as gate, therefore called
EGFETs. We report on the characterization of the surface conductivity
of single crystalline hydrogen terminated diamond in contact with
electrolyte. The focus is put on the effect coulombic screening of charge
at the interface by salts with different valency has on the surface conductivity.
Experimental results are compared to simulations based on
the screening effect. In this context the mechanism of the pH sensitivity
is discussed, where the effect of ionic strength on pH sensitivity
suggests, that pH-dependent surface charges have an equivalent effect
on the surface conductivity as a change of the electrode potential.
O 55.42 (280) Wed 18:30 Poster F
Scanning tunneling microscope study of Fe, Co, and
Cu- Phthalocyanine growth on metal surfaces — •Shih-
Hsin Chang 1 , Alessandro Scarfato 1,2 , Germar Hoffmann 1 , and
Roland Wiesendanger 1 — 1 Institut für Angewandte Physik, Universität
Hamburg, Germany — 2 Dipartimento di Fisica, University of
Salerno, Italy
The growth behaviour of Fe-, Co-, and Cu- Phthalocyanine (Pc)
molecules on Cu(111) surfaces has been studied by a variabletemperature
scanning tunneling microscope. For all three kinds of Pcs,
we find perfect alignment of one molecular axis relative to one of the
equivalent crystallographic axis of Cu(111) at submonolayer coverage.
At about 1 ML short-range ordered domains appear and molecular
configurations are found to have a mismatch angle from the crystallographic
axis of Cu(111) due to molecule-molecule interaction. Above 1
ML, well-ordered domains of second layer molecules are formed. Based
on STM images molecules were found to be tilted out-of-plane. Still,
a substantial variation of the growth behaviour for the different Pc
is observable. We will discuss these variations in terms of moleculemolecule
and molecule-substrate interactions.
O 55.43 (289) Wed 18:30 Poster F
Design and construction of a 300 mKelvin / 17 Tesla ultrahigh
vacuum scanning tunneling microscope for molecular
studies — •Jörg Schwöbel, Matthias Nohme, Robert Ravlić,
Jan Wienhausen, Germar Hoffmann, and Roland Wiesendanger
— Institut für Angewandte Physik, Universität Hamburg, Germany
The detailed investigation of molecular excitations and molecular magnetism
is a prerequisite to establish molecules as building blocks for
tailor made materials. Here, we present the design of a new ultrahigh
vacuum system for the local study of molecular magnetism with
scanning tunneling microscopy (STM) and spectroscopy (STS).
To resolve magnetic molecular levels this system operates at ultra-

low temperatures (300 mK), thereby increasing energy resolution, and
is equipped with a 17 Tesla magnetic field to achieve splitting of magnetic
states. Organic magnetic molecules will be prepared on metal
substrates as well as on substrates covered by insulating layers for electronic
decoupling. For the preparation of heterogeneous layers from
different materials and of single molecules we developed new vacuum
components for a flexible growth at temperatures between 1 and 500 K.
Metal and molecule evaporators are mounted on individual sample
holders. Therefore, evaporators can be easily exchanged and operated
in the preparation chamber as well as within the 300 mK cryostat.
We will discuss the design concept of the STM system and the vacuum
components we developed on portable evaporators, as well as for
the preparation of crystals with high melting temperatures. First results
on the in-situ preparation of molecular systems will be presented.
O 55.44 (348) Wed 18:30 Poster F
STM / STS investigation of porphyrin and corrole molecules
on surfaces — •Germar Hoffmann, Stefan Kuck, Jens Brede,
and Roland Wiesendanger — Institute of Applied Physics, University
of Hamburg
Porphyrins and corroles are metallo-organic compounds with a single
metal ion in their central positions. Previous studies of porphyrin systems
revealed unique electronic and magnetic features[1] making this
class an interesting material for future spintronic devices. These spectroscopic
features are influenced by the structural adsorption of the
molecule on the surface. We employ scanning tunneling microscopy
to compare the adsorption of tetra-phenyl-porphyrin and tri-phenylcorrole
revealing a saddle deformation of the molecule’s aromatic core.
The influence of the deformed molecular macrocycle on the molecular
states near the Fermi energy is studied in detail by means of scanning
tunnelling spectroscopy (STS). To investigate the metal-molecule interaction,
molecules with different ligands and thin isolating layers of
NaCl are employed to electronically decouple the molecules from the
metallic substrate.
[1] H.Wende et al., Nature Materials, 6:516-519 (2007).
O 55.45 (427) Wed 18:30 Poster F
Water adsorption on stepped and flat Pt(111) surfaces – combined
TDS and STM measurements — •Alexander Picolin 1 ,
Alex Redinger 1 , Carsten Busse 1 , Markus Morgenstern 2 , and
Thomas Michely 1 — 1 II. Physikalisches Institut, Universität zu Köln,
Germany — 2 II. Physikalisches Institut B, RWTH Aachen, Germany
An extensive insight into the water-metal-bonds and a deeper understanding
of corrosion and catalytic reactions require knowledge about
the behaviour of water molecules on metallic surfaces. Therefore, adsorption
mechanism, resulting phases, and preferred bonds of the ice
double layer on Pt(111) are investigated with thermal desorption spectroscopy
(TDS) and scanning tunneling microscopy (STM).
After adsorption of water at 120 K on a flat Pt(111) surface, TDS
measurements only show the well-known multilayer (at 150-160 K) and
monolayer desorption peaks (∼168 K). When the sample is prepared
by 5 keV Ar + ions (fluence 10 17 ions/cm 2 ) under grazing incidence
(83 ◦ against surface normal) a rippled morphology with a high step
density (∼5% of adsorption sites) results. Subsequent TDS on this
surface shows a shift in temperature of the monolayer peak as well as
two further desorption peaks at 180 K and 195 K. These two additional
peaks are absent, if a small amount of CO is adsorbed at 400 K prior
to H2O adsorption. As CO binds preferentially to steps, the two additional
H2O desorption peaks from the clean surface are attributed to
molecules bound to {100} and {111}-microfacetted steps. Binding energies
and the order of desorption for step edges are determined. The
preference of step edge occupation is also observed in STM images.
O 55.46 (59) Wed 18:30 Poster F
STM observation of antiphase boundaries in
Fe3O4(001)/MgO thin epitaxial films — •David Serrate 1 , Julia
M. Orna 2 , Luis Morellón 2 , Andre Kubetzka 1 , Kirsten von
Bergman 1 , and Roland Wiesendanger 1 — 1 Institute of Applied
Physics, University of Hamburg, Hamburg, Germany — 2 Instituto de
Nanociencia de Aragón, University of Zaragoza, Zaragoza, Spain
Due to its high Curie temperature and half-metallic nature, Fe3O4
thin films are archetypal candidates as electrodes for spin-valve type
devices. However, the spin filtering effects achieved at room temperature
up to date are modest 1 . The reason is that the properties of
the Fe3O4 surface play a mayor role on the TMR of magnetic tunnel
junctions, and therefore a better understanding of the surface termination
is mandatory. Several STM experiments have been published
Wednesday
on the (001) surface of bulk single crystals, but the surface of artificial
thin films remains unexplored. The most likely defects occurring in
Fe3O4 epitaxial films are the so-called antiphase boundaries (APB) 2 ,
which arise from the coalescence of two crystallographic domains. We
report the direct observation of APB in thin epitaxial Fe3O4 (40 nm)
by means of STM topography showing atomic resolution. Fe3O4(001)
was grown on MgO(001) by pulsed laser deposition. Surface preparation
for STM measurements consisted of cycles of Ar + etching and O2
annealing at 5×10 −7 mbar. The results provide a structural model for
the APB and confirm the origin of the in-plane MR characteristic of
ultrathin Fe3O4 films 2 . [1] H. Matsuda et al., Jpn. J. Appl. Phys.
41, L387 (2002) [2] W. Eerestein et al., Phys. Rev. Lett. 88, 247204
(2002)
O 55.47 (287) Wed 18:30 Poster F
Metal coatings prepared by organometallic chemical
vapour deposition (OMCVD) — •Jörn Wochnowski 1 , Thimo
Göllnitz 1,2 , Germar Hoffmann 2 , Roland Wiesendanger 2 , and
Jürgen Heck 1 — 1 Institute of Inorganic and Applied Chemistry —
2 Institute of Applied Physics; University of Hamburg
In microtechnology, the coating of temperature-sensitive substrates
with high melting-point materials is challenging. The use of volatile
organometallic compounds can be an answer to solve this ambitious
task. We developed an experimental set-up for the deposition of elements,
oxides, and functional composites in glass hollowware by means
of OMCVD. With the first experimental set-up [1], the thermally induced
decomposition of numerous elementorganic and metallorganic
precursors has been tested for the deposition of catalytic or optic materials.
Here, we will present experimental data of the thermal deposition
of different metals as tungsten [2] on a glass surface. We used Atomic
Force Microscopy as one standard analytical surface method to obtain
structural and morphological information of the deposited metal
layers. We will discuss the preparation and the analytics of the prepared
surfaces. With the objective to bring the deposition temperature
of W(CO)6 further down to room temperature, we developed a new
photolytic OMCVD set-up. We will demonstrate and discuss the realization
of our experimental setup.
[1] J. Heck et al., DE 198,52,722, 2000, EP 1,001,050 A2, 2000.
[2] J.Wochnowski, doctoral thesis Hamburg 2007.
O 55.48 (450) Wed 18:30 Poster F
Study of formation and thermal stability of Fe layers on
ZnO surfaces — Alexander Demund, Daniel Wett, Sylvia Reiche,
Rüdiger Szargan, and •Reinhard Denecke — Wilhelm-
Ostwald-Institut für Physikalische und Theoretische Chemie, Universität
Leipzig, Linnéstr. 2, 04103 Leipzig
Formation and thermal stability of Fe layers on ZnO surfaces have been
studied by means of X-ray Photoelectron Spectroscopy and Low Energy
Electron Diffraction. Experiments were performed on the polar
surfaces ZnO(0001) and ZnO(000-1) and on the non-polar (1120) surface.
The results indicated a pseudo 2D growth mode for iron on ZnO
at room temperature, which was less pronounced on the Zn-terminated
(0001) surface. Under ultra high vacuum conditions low coverages of
deposited Fe 0 on all ZnO single crystal surfaces were partially oxidized
by a small fraction of residual -OH-groups and ZnO to FeO. A strong
temperature dependence of the interface reactivity was found upon annealing.
Starting from 200 - 300 ◦ C iron was first oxidized to bivalent
iron oxide. After complete oxidation of Fe 0 to Fe 2+ at around 400 ◦ C,
Fe 2+ reacted to Fe 3+ . Above temperatures of 500 ◦ C the deposited
metallic iron was completely oxidized to trivalent iron. Differences
observed for the different surface orientations will be discussed.
Work has been supported by DFG (FG 404 Sz58/15).
O 55.49 (531) Wed 18:30 Poster F
Investigation of MgO thin films on Mo(100) by scanning tunneling
microscopy and spectroscopy — •Mike Pezzotta, Dinesh
Subramaniam, Marco Pratzer, and Markus Morgenstern —
II. Physikalisches Institut B, Otto-Blumenthal-Straße, RWTH Aachen
and JARA-FIT, 52074 Aachen
Oxide thin films on metallic substrates offer the possibility of investigating
the electronic structure of metallic or ferromagnetic atoms at
low electronic coupling to the substrate. Magnesium oxide films on
a molybdenum substrate are favored because of their flat and nearly
defect-free epitaxial growth [1].
We studied the growth of MgO islands on Mo(100) by scanning
tunneling microscopy and spectroscopy on the clean Mo surface as

well as on the Mo-carbide reconstruction. MgO thin films were prepared
by molecular beam epitaxy of magnesium in oxygen athmosphere
(p=1 ∗ 10 −7 mbar). The oxidation process has been controlled
by Auger spectroscopy. Annealing temperatures in the range of 900 K
to 1100 K result in MgO island sizes up to 50 nm in width and up to
1 nm in height. First spectroscopic dI/dU and dz/dU measurements
are presented.
[1] S. Benedetti et. al., Chemical Physics Letters 430 (2006) 330-335.
O 55.50 (299) Wed 18:30 Poster F
Direct metalation of phthalocyanine and tetraphenylporphyrin
on Ag(111) with co-adsorbed iron atoms — •Yun
Bai, Florian Buchner, Matthew Wendahl, Robert Staehle, Ina
Kellner, Andreas Bayer, Hubertus Marbach, Jörg Michael
Gottfried, and Hans-Peter Steinrück — Universität Erlangen-
Nürnberg, Lehrstuhl für Physikalische Chemie II, Egerlandstr. 3,
91058 Erlangen, Germany
Metalloporphyrins and metallophthalocyanines are promising candidates
for the functionalization of surfaces on the nanoscale because
they combine a reactive metal ion with a planar organic ligand,
which serves as a structure-forming element. Potential applications
of such functionalized surfaces include heterogeneous catalysts with
well-defined active sites and sensor systems. In this contribution, we
report the in-situ preparation of related model systems, in particular
Fe(II)-phthalocyanine and Fe(II)-tetraphenylporphyrin monolayers
on Ag(111). Both complexes are sensitive toward oxidation and react
readily with molecular oxygen, which makes the preparation of the
adsorbates by ex-situ metalation of the ligands in solution and subsequent
deposition difficult. Instead, we deposited monolayers of the
less reactive metal-free ligands and metalated them with the stoichiometric
amounts of vapour-deposited Fe atoms in an ultra-high vacuum
environment. This surface-mediated redox reaction was studied with
XPS and STM and was found to proceed with high yield (up to 95%).
Supported by the DFG through SFB 583.
O 55.51 (387) Wed 18:30 Poster F
Enhancement of photodesorption by vibrational excitation —
•Tijo Vazhappilly 1 , Stephanie Beyvers 1 , Tillmann Klamroth 1 ,
Rigoberto Hernandez 2 , and Peter Saalfrank 1 — 1 Institut
für Chemie, Universität Potsdam, D-14476 Potsdam, Germany —
2 School of Chemistry and Biochemistry, Georgia Institute of Technology,Atlanta,
GA 30332-0400
The effect of selective excitation of adsorbate vibrations by tailored IR
laser pulses, on the photodesorption of H2 and D2 from a Ru(0001)
surface has been investigated theoretically. A two-dimensional model
is used for the Desorption Induced by Electronic Transitions (DIET)
limit. A jumping wavepacket algorithm is employed with different
initial states, starting from ground vibrational state to vibrationally
excited states and vibrational wavepackets [1] . This model is extended
to Desorption Induced by Multiple Electronic Transitions (DIMET) by
incorporating electronic temperatures from femtosecond UV/vis laser
excitation of metal electrons. In this regime, the IR+UV/vis strategy
to control the photodesorption is realized by the Monte Carlo Wave
Packet (MCWP) method [2] , and Molecular Dynamics (MD) with electronic
friction. Vibrational preexcitation appears to be successful in
both DIET and DIMET.
References: [1] T. Vazhappilly, S. Beyvers, T. Klamroth, M. Luppi,
and P. Saalfrank, Chem. Phys. 338, 299 (2007). [2] P. Saalfrank,
T. Vazhappilly, S. Beyvers, G.K. Paramonov, and T. Klamroth, Surf.
Sci. (submitted).
O 55.52 (488) Wed 18:30 Poster F
Adsorption, Dissociation and Desorption of Acetylene on
Steel — •Andreas Bayer 1 , Jürgen Rossa 1 , Reinhard Denecke 2 ,
and Hans-Peter Steinrück 1 — 1 Lehrstuhl für Physikalische Chemie
II, Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen
— 2 Wilhelm-Ostwald-Institut für Physikalische und Theoretische
Chemie, Universität Leipzig, Linnéstr. 2, 04103 Leipzig
One way to improve the hardness and wear resistance of crude steel
is low-pressure carburisation. In this process, the surface near region
of steel is enriched with carbon, produced in-situ by dissociative adsorption
of hydrocarbons followed by diffusion of carbon atoms into
the bulk. In order to gain a detailed understanding of this process,
adsorption, dissociation and desorption of acetylene (C2H2) on steel
at temperatures between 500 and 1200 K were studied by mass spectrometry
and Auger electron spectroscopy utilising molecular beam
techniques. At low temperatures (T

Chemistry, B.P.32, El-Alia 16111, Bab Ezzouar, Algiers, Algeria.
We have studied the interaction of silver with the Re(1010) surface in
UHV in the temperature range between 300 and 800 K by means of lowenergy
and medium-energy electron diffraction (LEED and MEED)
as well as with temperature-programmed thermal desorption (TPD).
Deposition of Ag from submonolayer to multilayer coverages was accomplished
in small coverage increments; the monolayer concentration
was calibrated using MEED and examined using LEED-(I,V) calculations.
Short annealing at 800 K ensured thermodynamic equilibrium
of the Ag phases formed, since it is not until 950 K that Ag desorbs
in noticeable amounts. Within the submonolayer coverage regime the
following ordered LEED phases could be observed with increasing Ag
coverage: c(2x2); p(1x4); p(1x5), and (1x1), whereby all phases turn
out to be uniquely correlated with temperature and surface coverage.
We develop structure models of the Ag phases and discuss and compare
our data with recent studies of Au on Re(1010) and Ag on Ru(1010)
surfaces.
O 55.57 (341) Wed 18:30 Poster F
A Monte Carlo study of surface diffusion driven growth of
a single droplet — •Robert Heimburger — Institute for Crystal
Growth, Berlin, Germany
The Vapour-Liquid-Solid-Mechanism (VLS) is proven to be a promising
way to grow spatially arranged seed crystals for the growth of
polycrystalline silicon layers on amourphous substrates. The study of
coalescence and growth of liquid metal droplets on partially wetted
surfaces is of great interest as the process is an important partial step
of the Vapour-Liquid-Solid-Mechanism.
We present a detailed study of the diffusion driven evolution of
droplet size in dependence of growth temperature, surface roughness
and deposition rate neglecting coalescences of droplets using the Monte
Carlo method. Additionally spatial concentration profiles of the growing
matter are discussed. The estimates will be compared with experimental
results of droplet formation on a molybdenum surface by
evaporation of indium.
O 55.58 (369) Wed 18:30 Poster F
Vibrational features of copper adatoms on Cu(111) — •Diana
Vogel, Olaf Skibbe, and Annemarie Pucci — Kirchhoff-Institut für
Physik, Universität Heidelberg, Im Neuenheimer Feld 227, D-69120
Heidelberg
It is known that some stepped copper surfaces show vibrational features
that are introduced by the steps [1]. The energies of some of
these vibrations are higher than those of the bulk phonons. We found
with high-resolution electron energy loss spectroscopy (HREELS) similar
features by looking at the Cu(111) surface on which we evaporated
copper at liquid nitrogen temperature. The behavior of these vibrational
features will be shown as a function of the amount of added
copper and the annealing temperature, respectively.
The aim of this study is to characterize the roughened surface
which can serve as a nano-structured template for the adsorption of
molecules. The interaction of adsorbates with the surface is known to
be influenced strongly by the presence of defect sites [2].
[1] A. Kara, P. Staikov, and T. S. Rahman, Phys. Rev. B 61, 5714
(2000).
[2] O. Skibbe, M. Binder, A. Otto, and A. Pucci, in preparation.
O 55.59 (458) Wed 18:30 Poster F
The growth and structure of titania films on a rhenium(0001)
surface — •Susanne Schubert and Klaus Christmann — Institut
für Chemie und Biochemie der FU Berlin, Germany
In view of the significance of titanium dioxide as a catalyst support
for low-temperature CO oxidation we have studied the epitaxy and
chemical properties of titanium dioxide films grown on a clean and
oxygen-covered Re(0001) surface. Titania films were prepared by codeposition
of Ti vapor in an oxygen atmosphere at elevated temperatures
(T≥830K). The structure and chemical (surface) composition of
these films were analyzed by means of low-energy electron diffraction
(LEED), low-energy ion scattering (LEIS) and X-ray photoelectron
spectroscopy (XPS) as a function of deposition rate and film thickness
starting from the monolayer regime up to concentrations of 10 to 40
monolayers. While the overall film stoichiometry is close to TiO2 (rutile)
independent of film thickness we find a moiré LEED pattern at
low surface concentrations, faceting with hexagonal phases in three domains
of rutile(110) rotated by 120 ◦ against each other in the medium
coverage regime, and well-ordered unfaceted rutile films for thicknesses
Wednesday
beyond ≈ 40 monolayers. The respective growth behavior can be described
by a Stranski-Krastanov mechanism.
O 55.60 (550) Wed 18:30 Poster F
The PtxRu1−x/Ru(0001) surface alloy formation process
studied by STM — •Andreas Bergbreiter, Harry E. Hoster,
and R. Jürgen Behm — Institute of Surface Chemistry and Catalysis,
Ulm University, D-89069 Ulm, Germany
PtxRu1−x/Ru(0001) surface alloys were prepared by vapor deposition
of Pt on a Ru(0001) single crystal, followed by annealing to 1350 K. According
to high resolution STM analyses with chemical contrast, the
composition of the PtxRu1−x/Ru(0001) surface is homogeneous on
both nanometer and micrometer length scale. For x

high voltage to the crucible produces a significant fraction of ionized
atoms that are accelerated to the sample. We have investigated the
impact of this effect on the homoepitaxial growth of copper films using
Scanning Tunneling Microscopy. During growth different electrical
fields were applied to suppress ion bombardment at varied substrate
temperatures. At room temperature without ion suppression a nanostructured
surface is found. Rectangular shaped vacancy islands are
created quite similar to those obtained by [1]. If an electric field is applied,
a multilayer growth mode can be observed. Ion-free deposition
at higher substrate temperatures results in a layer by layer growth.
This work was supported by DFG SFB 602 TPA3.
[1] M. Ritter et al, Surface Science 348 (1996) 243-252
O 55.64 (701) Wed 18:30 Poster F
The growth of Co on Fe/W(110)investigated by STM and
STS — •Torsten Methfessel and Hans-Joachim Elmers — Johannes
Gutenberg-Universität Mainz, Institut für Physik, Staudingerweg
7, D-55099 Mainz
Highly spinpolarised metals are of great interest e.g. for the application
in spin-valves. Recently observed large tunneling magnetoresistance
(TMR) effect values of 410 % at room temperature for Co/Fe(100)
electrodes indicate a high spin-polarisation at the Fermi energy of bcc
Co [1]. Instead of a (100) oriented substrate, we grow bcc Co on
Fe(110), where the symmetry change from hcp to bcc becomes obvious
in the (110) surface plane, in contrast to the (100) orientation. In
order to prepare a Fe(110) substrate, we deposited a 8 ML Fe film on
W(110) that was annealed to 500 K. The annealing results in large
separated islands with an ideal Fe(110) surface, that serves as a substrate
for the deposition of Co. Using scanning tunneling microscopy
and spectroscopy (STM and STS) we investigated the local structural
and electronic properties of the bcc Co films. The first monolayers
of Co grow as pseudomorphic bcc layers, which shows periodic lattice
distortions similar to the growth of Co on Cr(110) [2]. Single point
spectroscopy reveals a peak of the LDOS at +1 eV in contrast to the
peak at +0.6 eV observed for the second monolayer bcc Co/Cr(110),
which might be explained by the differences in the lattice constants of
Fe and Cr.
[1] S. Yuasa et al., Appl.Phys.Lett. 89 (2006) 042505.
[2] T. Methfessel et al., Suf.Sci. 601 (2007) 5026.
O 55.65 (60) Wed 18:30 Poster F
Adsorption of CO, O2 and ethene on PtxCe/Pt(111) surface
alloys. A HREELS-, TPD-study. — Jan Markus Essen,
•Conrad Becker, and Klaus Wandelt — Institut für Physikalische
und Theoretische Chemie, Universität Bonn, Wegelerstrasse 12, 53115
Bonn, Germany
It is well known that alloying can change the adsorption and reaction
properties of surfaces significantly. In this study we investigated the
Pt-Ce system. Evaporating Ce onto Pt(111) followed by annealing to
1000 K forms ordered alloys. Depending on the cerium fraction a (2x2)
and a (1,96x1,96)+(1,96x1,96)R30 ◦ LEED pattern is observed. Our
TPD and HREELS study of CO, O2 and ethene adsorption shows a
very low reactivity of these surface alloys. Concerning CO adsorption
we find a significantly decreased desorption temperature of about 280
K compared to 400 K for a CO saturation coverage on pure Pt(111).
Likewise oxygen adsorbed at 90 K, followed by annealing, cannot oxidize
these surface alloys. In comparison with Pt(111) neither is molecularly
bonded oxygen observed at 90 K nor can desorption of oxygen
caused by recombination of atomic oxygen at 750 K be detected as on
Pt(111). Our results support the model for the PtxCe/Pt(111) surface
alloy consisting of a Pt Kagomé net as the top layer. Because of
the low reactivity we conclude that the top layer of the surface alloy
contains no Cerium-atoms.
O 55.66 (206) Wed 18:30 Poster F
Preparation and investigation of galvinoxyl on potassium bromide
— •Miriam Klusmann and Marika Schleberger — Universität
Duisburg-Essen, Fachbereich Physik, Lotharstraße 1, D-47048
Duisburg, Germany
Molecular magnets are supposed to offer storage densities up to some
tera bits per square inch. But before any technical application can be
realized a suitable preparative method to produce well-ordered structures
of such molecular assemblies is required. Most of the molecular
magnets cannot be deposited on surfaces by conventional techniques
like organic molecular beam epitaxy (OMBE) due to thermal decomposition
of the molecules below the operating temperature of the evaporator.
To avoid this problem we use a pulsed valve to spray a solution
Wednesday
that contains molecular magnets onto the bare substrat. Preparation
takes place under ultra-high vacuum (UHV) conditions. The idea is
that the solvent evaporates while the molecules adsorb (ideally intact)
onto the surface. We report on results obtained with the stable radical
galvinoxyl (C29H41O2) dissolved in ethanol p. a. and injected
onto a freshly cleaved (100)-surface of the insulator potassium bromide
(KBr). Investigation of the surface before and after injection is
done by atomic force microscopy in the nondestructive dynamic mode
(FM-AFM) under ultra-high vacuum conditions.
O 55.67 (278) Wed 18:30 Poster F
Contact charging between insulators by organic molecule adsorption
— •Wei Chen, Christoph Tegenkamp, and Herbert
Pfnuer — Leibniz-Universität Hannover, Institut für Festkörperphysik,
Appelstr. 2, 30167 Hannover, Germany
It has been shown that adsorption of simple organic acids on wide band
gap insulators can introduce unoccupied electronic states in the band
gap. These unoccupied states of adsorbates can lower electron excitation
energy significantly, which makes it possible for charge exchanges
between insulators. The adsorbates are thus decisive for contact charging
problems as the electronic states of the surfaces are well defined
by the them.
In this paper, the electronic states of benzoic acids attached to various
functional groups are investigated by density functional theory
calculations. The results show that salicylic acid (SA) and anthranilic
acid (AA) are ideal for contact charging between insulators because of
their higher binding energy of the uppermost πz orbital of the COOH
group. The corresponding anti-bonding state (i.e. the LUMO) is thus
located closer to the VB edge of the insulators, resulting a smaller
effective band gap. Moreover, the HOMO-LUMO separation of AA
is 0.12 eV smaller compared to SA. Further, we represent first results
of atomic force microscopy measurements which are performed on organic
molecule adsorbed NaCl surface using KCl coated cantilevers in
order to study contact charging between the alkali chlorides.
O 55.68 (381) Wed 18:30 Poster F
The structure of the first layer of acetylene adsorbed on
NaCl(100) — Aldo Cartagena, •Jochen Vogt, and Helmut
Weiss — Chemisches Institut der Universität Magdeburg, Universitätsplatz
2, 39106 Magdeburg
Acetylene adsorbed on NaCl(100) is considered as a model system
of physisorption under the conditions of a moderate lattice mismatch
and, moreover, the formation of hydrogen bonds between neighboring
molecules. Hydrogen bonds are known to cause red-shifts of the
IR-active C–H stretch modes of the molecules. In low-energy electron
diffraction experiments, a (3 √ 2 × √ 2)R45 ◦ symmetry of the first layer
of acetylene is observed at 75 K, in agreement with a previous study
[1]. Under the same conditions, polarization infrared spectroscopy reveals
a splitting of the asymmetric stretch mode in three absorptions
at 3227.3, 3230.5, and 3248.7 cm −1 , respectively, also in agreement
with a previous study [2]. We use potential calculations to determine
the structure of the adlayer and vibrational exciton theory guided by
ab initio calculations to give a new assignment of the observed IR transitions
to molecules on inequivalent sites, the latter being interlinked
by different numbers of hydrogen bonds.
[1] A. Glebov et al., Phys. Rev. B 106 (1997) 6499
[2] S. K. Dunn et al., J. Phys. Chem. 96 (1992) 5284
O 55.69 (393) Wed 18:30 Poster F
Oxygen incorporation from CO2 and H2O in Fe-doped Sr-
TiO3 single crystals — •Florian Voigts 1 , Dominik Schwendt 1 ,
Sebastian Dahle 1 , Pradyot Datta 2 , Jana Große-Brauckmann 2 ,
Lars Dörrer 2 , Christos Argirusis 2 , and Wolfgang Maus-
Friedrichs 1 — 1 Institut für Physik und Physikalische Technologien,
TU Clausthal, Leibnizstrasse 4, 38678 Clausthal-Zellerfeld, Germany
— 2 Institut für Metallurgie, TU Clausthal, Robert-Koch-Strasse 42,
38678 Clausthal-Zellerfeld, Germany
Strontium titanate is a promising candidate for the development of a
new generation of resistive high temperature oxygen sensors. The analysis
of automobile exhaust is regarded as a possible main application.
An interpretation of the sensors signal in such an environment will
only be possible with an understanding of the cross-sensitivity of the
strontium titanate for other present gases like water or carbon dioxide.
Our results for the interaction of donor-doped strontium titanate single
crystals with these species are presented in this poster. Metastable
Induced Electron Spectroscopy and Ultraviolet Photoelectron Spectroscopy
are used to study adsorption and dissociation processes un-

der ultra high vacuum conditions. Oxygen tracer diffusion experiments
performed under realistic conditions using Secondary Ion Mass
Spectroscopy as well as investigations with X-ray Photoelectron Spectroscopy
and Temperature Programmed Desorption give evidence to
the oxygen incorporation into the strontium titanate. Furthermore,
diffusion processes can be investigated. We try to correlate the results
to develop a model for the occurring interaction processes.
O 55.70 (642) Wed 18:30 Poster F
Interaction of SrTiO3 nanoparticles with reactive gases
— •Dominik Schwendt 1 , Florian Voigts 2 , Wolfgang
Maus-Friedrichs 2 , Christos Argirusis 3 , and Jana Große-
Brauckmann 3 — 1 Institut für Materialien und Bauelemente der
Elektronik, Leibniz Universität Hannover, Appelstr. 11A, 30167 Hannover,
Germany — 2 Institut für Physik und Physikalische Technologien,
TU Clausthal, Leibnizstr. 4, 38678 Clausthal-Zellerfeld, Germany
— 3 Institut für Metallurgie, TU Clausthal, Robert-Koch-Straße
42, 38678 Clausthal-Zellerfeld, Germany
SrTiO3 is known for its capability as high temperature oxygen sensor.
The most interesting application of this sensor would be the analysis
of automobile exhaust, allowing the optimisation of fuel injection and
catalytic oxidation of toxic exhaust.
Metastable Impact Electron Spectroscopy as wells as Ultraviolet Photoelectron
Spectroscopy are used to analyse the valence band structure
of SrTiO3 and its adsorbates, while we use X-ray Photoelectron Spectroscopy
to check the stoichiometry of the samples. In this poster we
present the results of the interaction of SrTiO3, produced via a solgel-route,
with different reactive gases, such as H2O, CO2, CO, and
NO. The results are being compared to the interaction of these gases
with SrTiO3(100) single crystalls.
O 55.71 (52) Wed 18:30 Poster F
Growth Study of Salene Molecules on NaCl(001) — •Knud
Lämmle, Alexander Schwarz, and Roland Wiesendanger — Institut
für Angewandte Physik, Jungiusstrasse 11a, 20355 Hamburg
Combining magnetism with the properties of organic molecules opens
new options to develop unique materials. An example would be a
transparent magnet. For our investigation we choose Salenes which
exhibit a metallic centre and a planar structure. By exchanging the
centre atoms, it is possible to tune the magnetic properties. Moreover,
several molecules can be attached to each other to study the intramolecular
magnetic coupling between the metallic centres via chemical
bonds in such molecules. As a first step we study the growth
of Co-Salene molecules using atomic force microscopy. To investigate
these molecules without hybridisation effects we use the large bandgap
insulator NaCl(001) as substrate. The molecules were evaporated with
a homebuilt Knudsen cell at temperatures around 220 ◦ C, while the
evaporation rate was monitored by a quartz crystal microbalance. At
low coverages the molecules decorate step edges only. At increased
coverages the molecules form wires which also grow across large terraces.
Increasing the amount of evaporated material further leads to
network formation. We observed that the wires grow primarily oblique
to the crystallographic axes.
O 55.72 (176) Wed 18:30 Poster F
Spin-dependent Electron Transmission through Organized
Organic thin Films — •Benjamin Göhler 1 , Arne Rosenfeldt 1 ,
Volker Hamelbeck 1 , Georg F. Hanne 1 , Helmut Zacharias 1 , and
Ron Naaman 2 — 1 Physikalisches Institut, Universität Münster —
2 Department of Chemical Physics, The Weizmann Institute, Rehovot,
Israel
Electron dichroism has been reported for vapours of chiral molecules
[1]. The interaction of longitudinally spin-polarized electrons with chiral
molecules can be different for two enantiomers or stated the other
way around for one enantiomer and electrons of opposite helicities. The
attenuation of polarized electron beams shows a dependence upon the
spin of the electrons.
Here photoelectrons are detected that are emitted from a gold surface
covered by an organized organic thin film (OOTF). Photoelectrons
excited from gold by circularly polarized light have a longitudinal spin
polarization of up to 15% [2]. The photoelectron yield of gold covered
with OOTF also varies with the circular polarization of the incident
laser light [3]. When the photon energy applied (5.9 eV) is not sufficient
to ionize the adsorbed molecules but emit electrons from the gold
substrate, those results suggest that the electron transmission through
the organic layer is spin dependent. To analyze this spin filter effect
a new set-up is built with a small-size conventional electron polarime-
Wednesday
ter (Mini Mott) to determine the spin polarization of the transmitted
electrons through the OOTF. [1] PRL 74, 4803, 1995. [2] PRL 47, 374,
1981. [3] Science 283, 814, 1999.
O 55.73 (234) Wed 18:30 Poster F
Self-assembled monolayers on gold containing azobenzene ligands
— •F. Vogel 1 , M. Borg 1 , F. Bretthauer 2 , U. Siemeling 2 ,
and F. Träger 1 — 1 Institut für Physik and Center for Interdisciplinary
Nanostructure Science and Technology - CINSaT, Universität
Kassel, Kassel — 2 Institut für Chemie and Center for Interdisciplinary
Nanostructure Science and Technology - CINSaT, Universität Kassel,
Kassel
Two azobenzene-derivatized 1,2-dithiolanes were synthesized and used
for the preparation of self-assembled monolayers (SAM) on gold.
Azobenzene derivatives can be switched between their ”cis” and
”trans” isomers by irradiation with light and represent the most widely
studied system for photoresponsive SAMs. However, in SAMs based
on thiols and symmetric disulfids on gold, the chromophores are densly
packed and show little free volume to allow photoisomerisation. The
binding unit of the investigated molecules with their two attachment
points and increasing size should lead to considerable void spaces between
the individual photoresponsive azo units. Photoswitching was
confirmed by ellisometric measurements. The kinetics of film formation
of the two molecules have been compared by in situ optical second
harmonic generation (SHG). It has been shown that the absorption of
the molecules on the gold substrate is best described by second order
Langmuir kinetics for the investigated concentration of 100 µmol/l.
O 55.74 (422) Wed 18:30 Poster F
Vapour phase deposition of biphenylthiol self-assembled
monolayers — •Laxman Kankate, Andrey Turchanin, and Armin
Gölzhäuser — Department of Physics, Physics of Supramolecular
Systems, University of Bielefeld, D-33615 Bielefeld
Self-assembled monolayers (SAMs) with aromatic moieties caused recently
a particular interest due to their applications in molecular electronics,
nanolithography and biotechnology. To achieve high reproducibility
of the SAM-based devices and nanostructures the utilization
of high quality, well defined monolayers is necessary. The traditional
*wet chemistry* preparation of SAMs suffers from solvent, ambient
and substrate contaminations resulting often in poor quality of the
molecular assemblies. On the contrary, the preparation of SAMs in
UHV provides a high degree of control over the experimental parameters.
We have studied the formation of 1,1*-biphenyl-4-thiol (BPT)
and 4*-nitro-1,1*-biphenyl-4-thiol (NBPT) SAMs on Au surfaces by
vapour deposition in UHV. The deposition parameters and the quality
of monolayers were optimized and characterized by mass spectrometry
and X-ray photoelectron spectroscopy (XPS). The formation of both
SAMs was tuned from the sub-monolayer to the monolayer regimes.
O 55.75 (429) Wed 18:30 Poster F
Vapour phase deposition of biphenylthiol self-assembled
monolayers — •Laxman Kantake, Andrey Turchanin, and Armin
Gölzhäuser — Department of Physics, Physics of Supramolecular
Systems, University of Bielefeld, D-33615 Bielefeld
Self-assembled monolayers (SAMs) with aromatic moieties caused recently
a particular interest due to their applications in molecular electronics,
nanolithography and biotechnology. To achieve high reproducibility
of the SAM-based devices and nanostructures the utilization
of high quality, well defined monolayers is necessary. The traditional
*wet chemistry* preparation of SAMs suffers from solvent, ambient
and substrate contaminations resulting often in poor quality of the
molecular assemblies. On the contrary, the preparation of SAMs in
UHV provides a high degree of control over the experimental parameters.
We have studied the formation of 1,1*-biphenyl-4-thiol (BPT)
and 4*-nitro-1,1*-biphenyl-4-thiol (NBPT) SAMs on Au surfaces by
vapour deposition in UHV. The deposition parameters and the quality
of monolayers were optimized and characterized by mass spectrometry
and X-ray photoelectron spectroscopy (XPS). The formation of both
SAMs was tuned from the sub-monolayer to the monolayer regimes.
O 55.76 (581) Wed 18:30 Poster F
Valence band spectroscopy on functionalized cellulose surfaces
— •Lothar Klarhöfer 1 , Kai Volgmann 1 , Wolfgang
Maus-Friedrichs 1 , Volker Kempter 1 , and Wolfgang Viöl 2
— 1 TU-Clausthal, Institut für Physik und Physikalische Technologien,
Leibnizstraße 4, D-38678 Clausthal-Zellerfeld — 2 HAWK
FH Hildesheim/Holzminden/Göttingen, Fakultät Naturwissenschaften

und Technik, Von-Ossietzky-Straße 99, 37085 Göttingen
XPS (X–Ray Photo–Electron Spectroscopy) has become a popular
technique in pulp and paper science. Nevertheless, neither XPS valence
band spectra nor UPS spectra (Ultra Violet Photo Electron
Spectroscopy) were reported so far, although valence band spectra is
well–known to provide detailed information of the chemical state at
the surfaces enabling the analysis of different treatments.
We use XPS core level and valence band spectra in combination
with UPS (HeI/HeII) and MIES (Metastable Impact Electron Spectroscopy).
In order to understand the recorded spectra of cellulose
several spectra of so–called ”fingerprint” molecules were prepared and
compared with the origin cellulose spectra.
Both the Cellulose and the model surfaces, were plasma treated by
a dielectric barrier discharge in order to enhance the wetting behavior
of the surface. Untreated and synthetic–air–plasma treated model
surfaces were compared with respect to the surface composition of
functional groups. Functionalities containing oxygen were significantly
increased on plasma–treated samples, shown both with core level XPS
and UPS and MIES.
O 55.77 (658) Wed 18:30 Poster F
Surface investigations of wood constituents and wood-based
O 56: Evening Talk Peter Grünberg
Wednesday
compounds — •Thomas Haensel 1 , Andreas Comouth 1 , Nicolas
Zydziak 2 , Pierre Lorenz 1 , Syed Imad-Uddin Ahmed 1 , Stefan
Krischok 1 , Axel Kauffmann 2 , and Juergen A. Schaefer 1 —
1 Institut für Physik and Institut für Mikro- und Nanotechnologien,
TU Ilmenau, P.O. Box 100565,Germany — 2 Fraunhofer Institut für
Chemische Technologie (ICT), Joseph-von-Fraunhofer-Straße 7, 76327
Pfinztal, Germany
Graphite is a common bipolar plate material in direct methanol fuel
cells. However, the graphite used is synthetically manufactured in an
energy intensive and costly process. Efforts are underway to replace
synthetic graphite with pyrolyzed compounds that consist largely of
natural wood-based components. In this study, the surface characteristics
of unpyrolyzed and pyrolyzed cellulose and lignin were investigated
using contact angle measurements and X-ray photoelectron
spectroscopy. Since an important consideration for any replacement
material is its reactivity to methanol, the adsorption process on these
surfaces was also examined by offering methanol. All results were compared
with highly oriented pyrolytic graphite. The results indicate that
methanol does not react in any significant manner with the pyrolyzed
surfaces. The charging and X-ray degradation problems associated
with the study of native compounds are also discussed.
Time: Wednesday 20:00–21:00 Location: Urania/H 0105
Vom Riesenmagnetowiderstand zur Computerfestplatte
O 57: Plenary Talk Helmut Grubmüller
Time: Thursday 8:30–9:15 Location: H 0105
Forces and Conformational Dynamics in Biomolecular Nanomachines
O 58: Symposium: Beyond Optical Wavelengths: Time-Resolved Spectroscopy of Surface
Dynamics with EUV and XUV Radiation I (Invited Speakers: Reinhard Kienberger, Martin
Aeschlimann)
Time: Thursday 9:30–11:00 Location: HE 101
O 58.1 (70) Thu 9:30 HE 101
First steps of attosecond spectroscopy in condensed matter
— •Reinhard Kienberger — Max-Planck-Institut für Quantenoptik,
Hans Kopfermann Str. 1, 85748 Garching, Deutschland
The generation of ever shorter pulses is a key to exploring the dynamic
behavior of matter on ever shorter time scales. Electronic dynamics
inside atoms often evolve on an attosecond (1 as = 10-18 s) timescale
and require sub-femtosecond pulses for capturing them. Atoms exposed
to a few oscillation cycles of intense visible or near-infrared light
are able to emit a single electron and XUV photon wavepacket of
sub-femtosecond duration. Precise control of these sub-femtosecond
wavepackets have been achieved by full control of the electromagnetic
field in few-cycle light pulses. These XUV pulses together with the
few-cycle (few-femtosecond) laser pulses used for their generation have
opened the way to the development of a technique for attosecond sampling
of electrons ejected from atoms or molecules. First experiments
have been carried out to measure sub-femtosecond behavior of matter
like the dynamics of the photoionization process on solids. Not only
that attosecond metrology now enables clocking on surface dynamics,
but also the individual behaviour of electrons of different type (core
electrons vs. conduction band electrons) can be resolved. Here, we
measured a time delay of about 100 as on the emission of the aforemention
two types of electrons.
O 58.2 (508) Thu 10:00 HE 101
Time- and angle-resolved photoemission spectroscopy using
a femtosecond high-harmonic light-source — •Martin Aeschlimann
— Department of Physics, TU Kaiserslautern, 67663 Kaiserslautern
To date, femtosecond high-harmonic (HHG) light sources have been
used successfully in a number of IR-pump XUV-probe photoemission
experiments to study the ultrafast dynamics of surface processes.
Examples include electron relaxation in materials, surface adsorbate
dynamics, photoacoustic dynamics, and molecular dissociation. All
these IR-XUV geometries are accompanied by incident laser fields of
> 10 11 W/cm 2 leading to additional interesting laser-assisted strongfield
dynamic processes on solid surfaces. For instance, just recently
the laser assisted photoelectric effect (LAPE) could be demonstrated
for IR-XUV excitation of a Pt(111) surface [1] as well as laser assisted
auger decay (LAAD). Recent experimental results in this field will be
presented. Furthermore, time resolved IR-XUV photoemission can be
extended to the momentum space by the use of state-of-the-art 2D
photoelectron spectrometers [2]. First ARPES spectra recorded with
HHG light pulses will be presented, showing the potential of this technique
for future investigations of surface dynamics.
[1] L. Miaja-Avila et al., Phys. Rev. Lett. 97, 113604 (2006)
[2] S. Mathias et al., Rev. Sci. Instr. 78, 083105 (2007)
O 58.3 (446) Thu 10:30 HE 101
Core-level shifts induced by femtosecond laser excitation —
Andrea Melzer, Daniel Kampa, Jinxiong Wang, and •Thomas
Fauster — Lehrstuhl für Festkörperphysik, Universität Erlangen
The Si(001)(2x2)-Ga surface was used to investigate time-dependent
Ga(3d) core-level shifts by pumping electrons from the valence to the
conduction band by femtosecond laser pulses with 1.59 eV photon energy.
The Ga(3d) core level was probed with higher harmonics generated
in argon from the same laser source (1.4 mJ pulse energy, 30
fs pulse length, 779 nm wavelength, 1 kHz repetition rate). The time
resolution for the 25th harmonic (40 eV photon energy) was ∼400 fs
after a grating monochromator. The band bending of about 110 meV
of the p-doped Si(001)(2x2)-Ga surface is completely lifted by illumi-

nation of the surface with 1.59 eV laser pulses. The Ga(3d) core level
shows a slow time-dependent shift attributed to the build-up (∼1 ns)
and decay (∼100 ns) of the photovoltage. The upper limits for the
Ga(3d) core-level shift and broadening on the subpicosecond timescale
was determined to be less than 12 meV at the used pump pulse intensity
of 20 mJ/cm 2 . Experiments with pump pulses of 3.18 eV photon
energy showed similar results. Possible reasons for the small core-level
shift will be discussed.
O 58.4 (352) Thu 10:45 HE 101
Surface spectroscopy of CO/Pt(111) with High Harmonics
in the XUV — •Thorben Haarlammert 1 , Sebastian
Wegner 1 , Grigorius Tsilimis 1 , Helmut Zacharias 1 , and Alexander
Golovin 2 — 1 Physikalisches Institut, Westfälische Wilhelms-
Universität, Münster — 2 Institute of Physics, St. Petersburg State
University
O 59: Molecular Nanostructures
Thursday
We report on the generation of High Harmonic radiation in the photon
energy range up to 100 eV with up to 10 kHz repetition rate, based
on the conversion of femtosecond Ti:sapphire radiation in rare gases.
The fundamental laser is based on a single stage, multiple pass amplification
of a cavity-dumped oscillator. Output pulse energies of 1 mJ
and pulse durations of les than 30 fs at adjustable repetition rates up to
10 kHz are achieved. The generated High Harmonics are separated by
a toroidal grating and directed to the surface. A time-of-flight detector
with multiple anodes registers the kinetic energies of emitted photoelectrons.
The angular distributions of photoelectrons emitted form
CO/Pt(111) under s-polarized excitations have been measured for a
variety of initial photon energies. Different from gas phase results a
significant intensity of photoelectrons are emitted also in the normal
direction, i.e., in the direction of the C - O chemical bond. A first
theoretical investigation supports qualitatively the observed angular
distributions.
Time: Thursday 9:30–12:00 Location: MA 041
O 59.1 (201) Thu 9:30 MA 041
Organic Molecular Nanowires: N,N’-dimethylperylene-
3,4,9,10-bis(dicarboximide) on KBr(001) and NaCl(001) —
•Markus Fendrich, Christian Weiss, Manfred Lange, Tobias
Kunstmann, and Rolf Möller — Fachbereich Physik, Universität
Duisburg-Essen, D-47048 Duisburg
The growth of N,N’-dimethylperylene-3,4,9,10-bis(dicarboximide)
(DiMe-PTCDI) on KBr(001) [1] and NaCl(001) has been studied by
frequency modulation atomic force microscopy. On both substrates,
DiMe-PTCDI forms molecular wires with a length of up to 600 nm at
low coverages. The height of the wires is two or more molecular layers;
all wires grow along the [110] and [¯110] direction of the alkali halide
(001) substrates. There is no wetting layer of molecules: Atomic resolution
of the substrates can be achieved between the wires. Due to
their size and shape, the molecular nanowires might act as a model
system for organic electronics research on insulating substrates. Calculations
using empirical potentials reveal possible growth mechanisms
for both substrates.
[1] M. Fendrich and T. Kunstmann, Appl. Phys. Lett. 91, 023101
(2007)
O 59.2 (100) Thu 9:45 MA 041
Structural coherency of graphene on Ir(111) — •Coraux Johann,
N’Diaye Alpha, Busse Carsten, and Michely Thomas —
University of Cologne - Institute of Physics 2, Zuelpicher Str. 77,
50937 Cologne, Germany
We investigate the high structural quality of monolayers of graphene
prepared on Ir(111). Using scanning tunneling microscopy, we show
that graphene prepared this way exhibits remarkably large-scale continuity
of its carbon rows over terraces and step edges. The graphene
layer contains only a very low density of defects. These are zerodimensional
defects, edge dislocation cores consisting of heptagonpentagon
pairs of carbon atom rings, which we relate to small-angle
in-plane tilt boundaries in the graphene. We quantitatively examined
the bending of graphene across Ir step edges. The corresponding radius
of curvature compares to those of thin single-wall carbon nanotubes.
J. Coraux, A. T. N’Diaye, C. Busse, T. Michely, submitted.
O 59.3 (99) Thu 10:00 MA 041
Orientationally ordered (7×7) superstructure of C60 on
Au(111) — Guillaume Schull and •Richard Berndt — Institut
für Experimentelle und Angewandte Physik, Christian-Albrechts-
Universität zu Kiel, D-24098 Kiel, Germany
Long range orientational order within C60 monolayers on Au(111) is
observed with low-temperature scanning tunneling microscopy. A unit
cell comprised of 49 molecules which adopt 11 different orientations is
found. It can be divided in a faulted and an unfaulted half similar to
the (7×7) reconstruction of Si(111). A model is proposed, which shows
how through a Moiré-like effect, the substrate induces minute changes
in the orientation of the C60 molecules. Intermolecular interactions
are shown to play a major role in stabilizing the superlattice
O 59.4 (79) Thu 10:15 MA 041
Morphology of C58 layers deposited on HOPG — •Stefan-
Sven Jester, Daniel Löffler, Patrick Weis, Artur Böttcher,
and Manfred M. Kappes — Institut für Physikalische Chemie, Universität
Karlsruhe, 76131 Karlsruhe, Germany
The low energy cluster beam deposition technique, LECBD, has been
applied to grow monodisperse layers comprising of mass-selected carbon
clusters, so called non-IPR fullerenes, Cn, 50

O 59.6 (530) Thu 10:45 MA 041
Aromatic vs. Hydrogen Bonds in Self-Assembled Monolayers
of Organic Molecules, a STM-Study — •Rico Gutzler, Sophie
Lappe, Wolfgang M. Heckl, and Markus Lackinger — LMU
München, Sektion Kristallographie, Theresienstr. 41, 80333 München
The monolayer structure of two distinct organic molecules is investigated
by STM. We demonstrate how a small modification of a polyaromatic
molecule, which does not affect the functional groups, can
have dramatic impact on the structure of the self-assembled monolayer.
Both molecules exhibit C3 symmetry, have a central benzene ring in
common and three carboxylic groups at the 1,3,5 positions, each separated
by a rigid spacer. One compound exhibits methyl groups at
the 2,4,6 positions of the central benzene ring, the other remains unsubstituted.
This change in molecular structure was found to result in
completely different self-assembly behaviour at the liquid-graphite interface.
The unsubstituted molecule adsorbs in a row structure, where
the molecules are stacked with their planes almost perpendicular to
the substrate. The methylated molecule self-assembles into a sixfold
chickenwire network where the molecules are adsorbed planar. Based
on our experimental finding and supported by force field calculations,
we propose that in the first case the intermolecular binding is dominated
by aromatic interaction between the extended pi-electron systems,
whereas in the latter case the chickenwire structure is driven
by twofold intermolecular hydrogen bonds between the peripheral carboxylic
groups. This finding is explained by weakening of the pi-pi
stacking due to steric hindrance imposed by the methyl groups.
O 59.7 (181) Thu 11:00 MA 041
Template Readout of Hierarchical Coordination Networks
at Surfaces — •Alexander Langner 1 , Steven L. Tait 1 , Nian
Lin 1 , Chandrasekar Rajadurai 2 , Mario Ruben 2 , and Klaus
Kern 1,3 — 1 Max-Planck-Institut für Festkörperforschung, Stuttgart
— 2 Forschungszentrum Karlsruhe GmbH — 3 Ecole Polytechnique
Fédérale de Lausanne, Switzerland
Self-assembly of organic molecules into supramolecular networks is an
efficient strategy to pattern surfaces with functional nanostructures.
Highly ordered architectures can be achieved if the spontaneous selforganization
process is steered by selective and directional non-covalent
interactions. Here we demonstrate that from a mixture of organic ligands,
several unique structures can be ”read out” by adjusting the external
environment of the mixture. We report on the self-organization
of mixtures of multiple ligands with metal atoms at the Cu(100) surface
under ultra high vacuum (UHV) conditions. The generated architectures
exhibit a hierarchy of supramolecular interactions: highly stable
metal-organic coordination bonding and somewhat weaker hydrogen
bonding. With scanning tunneling microscopy (STM) we demonstrate
that modification of external parameters, e.g. commensurability with
substrate or introduction of guest molecules, causes distinct structural
configurations for identical ligand binding units, even leading in some
cases to complete ligand segregation. Due to the hierarchy of bonding
strengths, it is possible to modify only the lower level of structural organization
resulting in new metal-organic architectures with identical
primary structural units.
O 59.8 (193) Thu 11:15 MA 041
Structure and Charge Transfer in Metal-TCNQ Complexes
on Cu (100) — •Tzu-Chun Tseng 1 , Steven L. Tait 1 , Xiong Liu 1 ,
Nian Lin 1 , and Klaus Kern 1,2 — 1 Max Planck Institute for Solid
State Research, Heisenbergstraße 1, 70569 Stuttgart, Germany —
2 Institut de Physique des Nanostructures, Ecole Polytechnique Fédéral
de Lausanne (EPFL), 1015 Lausanne, Switzerland
Organic-based alternatives to conventional magnets offer the possibility
to form self-organized nanometer-scale structures at surfaces
with specific magnetic properties. For example, coordination
compounds of metal ions (M) with the organic molecule 7,7,8,8-
Thursday
tetracyanoquinodimethane (TCNQ) in solution have been shown
recently to have a high magnetic ordering temperature for large
M:TCNQ ratios (R. Jain et al., Nature 445 (2007) 291-294). A critical
issue for the development of metal-organic structures in magnetic or
electronic applications is the relationship of electronic configuration to
physical structure. Here we correlate structural information of 2D M-
TCNQ (M = Mn, Fe, Co, Ni, Cu) networks from scanning tunneling
microscopy and low energy electron diffraction with charge transfer
information obtained by X-ray photoemission spectroscopy. M-TCNQ
mixtures at Cu(100) self-organize into ordered structures, whose coordination
ratio and domain size depend strongly on the choice of
metal. XPS results identify distinct core level shifts in N 1s spectra of
M-TCNQ for 2D coordination to different metal centers compared to
neutral TCNQ.
O 59.9 (688) Thu 11:30 MA 041
Video-STM investigation of the dynamic behavior of bisterpyridine
submonolayers on Ag(111)-oriented films —
•Thomas Waldmann, Harry E. Hoster, and R. Jürgen Behm —
Institute of Surface Chemistry and Catalysis, Ulm University, D-89069
Ulm, Germany
We present a quantitative analysis of the dynamic exchange of single
molecules between two phases [1] of a bis-terpyridine derivative (2,4’-
BTP) [2] adlayer adsorbed on Ag(111)-oriented thin films on Ru(0001).
The analysis is based on video-STM measurements in ultra high vacuum
at room temperature. The adlayer was produced by evaporation
on a highly ordered (111)-oriented Ag film, which leads to the formation
of a quasi-quadratic network (QQN) [2, 3]. Via thermal desorption
it is possible to create defects in the QQN, which leads to a new disordered
phases with a quasi-hexagonal short-range order (QHP). Depending
on the BTP coverage 70-90% of the molecules in the QHP are
rotating, while the rest exhibits preferred orientations in steps of 30 ◦ .
At the QQN/QHP phase boundary, we observed molecules jumping
back and forth between both phases. From the different probabilities
to find the molecules in either phase we estimated the corresponding
energy difference via a Boltzmann-approach.
[1] Poster O684
[2] C.Meier et al., J.Phys.Chem.B 109, 21015 (2005)
[3] H.E.Hoster et al., Langmuir 23, 11570 (2007)
O 59.10 (103) Thu 11:45 MA 041
Bottom-up construction of covalently bound molecular
nanostructures — •Leonhard Grill 1 , Matthew Dyer 2 , Leif
Lafferentz 1 , Mats Persson 2 , Maike Peters 3 , and Stefan Hecht 3
— 1 Institut für Experimentalphysik, Freie Universität Berlin, Arnimallee
14, Berlin — 2 Department of Chemistry, University of Liverpool,
Liverpool L69 3BX, UK — 3 Institut für Chemie, Humboldt-
Universität zu Berlin, Brook-Taylor-Str. 2, Berlin
The ultimate goal of molecular electronics consists in the use of single
functionalized molecules for circuits at the atomic scale. In possible
future applications, such molecular arrays need to be highly stable and
allow charge transport between the molecular building blocks. Hence,
covalent bonds are desired for the intermolecular connections. However,
up to now only rather weak interactions have been reported for
supramolecular networks on surfaces.
We report on the controlled formation of covalently bound networks
of porphyrin molecules on a gold surface upon deposition of thermally
activated molecular building blocks and their subsequent chemical reaction
at predefined connection points [1]. Scanning tunneling spectroscopy
measurements, lateral manipulation, and density functional
theory calculations unambiguously reveal the covalent character of the
intermolecular bonds. Furthermore, we show that the dimensions and
shape of these nanostructures can be precisely engineered by controlling
the number of bromine substituents of the molecular building
block, leading to the formation of dimers, chains and networks.
[1] L. Grill et al., Nature Nanotech. 2, 687 (2007).

Thursday
O 60: Symposium: Bimetallic Nanosystems: Tuning Physical and Chemical Properties I (Invited
Speakers: Harald Brune, Michael Hilgendorff, Konstantin Neyman)
Time: Thursday 9:30–12:15 Location: MA 005
O 60.1 (112) Thu 9:30 MA 005
Interface vs. Alloy Contribution to Magnetic Anisotropy in
Bi-Metallic Nanostructures — •Harald Brune — Swiss Federal
Institute of Technology (EPFL), Lausanne, Switzerland
We investigate the magnetic anisotropy of atoms located at atomically
sharp interfaces between two metals and of those situated in a homogeneous
alloy. The numbers we derive enable to estimate whether homogeneous
alloys or onion type alternations of two metals lead to higher
anisotropies for a given size. The model systems are two-dimensional
bi-metallic islands on Pt(111). The magnetic properties are determined
by means of magneto-optical Kerr effect for island ensembles
for which the morphology is derived from STM.
The blocking temperature of FexCo1−x alloy islands is highest for
x = 0.5 and with Tb = 160 K two times higher than the one of pure
Co (Tb = 90 K) or pure Fe islands (Tb = 80 K) of identical size and
shape. This yields to an alloy contribution to the barrier for thermally
induced magnetization reversal of Ealloy = 0.14 meV/atom. Co-core–
Fe-shell islands reveal a steep increase of Tb, starting with minute
amounts of Fe and ending at a shell being only 2 atomic rows wide.
Further addition of Fe leads to a much more shallow increase of Tb,
similar to the one of pure Fe or Co. From this behavior we infer that
the interface between Co and Fe contributes by Eint = 0.9 meV/pair.
These values suggests that abrupt 1D interfaces between two metals
have significantly higher anisotropies than homogeneous alloys. For Co
islands decorated by Pd we find very different anisotropies for lateral
compared with vertical interfaces.
O 60.2 (585) Thu 10:00 MA 005
Magnetic-Noble Metal Nanocomposites with Size-Dependent
Magnetic Properties and Morphology-Dependent Optical Response
— •Michael Hilgendorff — caesar research center, Bonn,
Germany
This talk aims at presenting the preparation and the properties of
bimetallic magnetic AgCo, PtCo, and PdCo core/shell nanocrystals
and Au-CoPt3, Ag-CoPt3, and Au-FePt heterodimers.
Stable bimetallic AgCo, PtCo, and PdCo core/shell colloids with
a narrow particle size distribution and a controlled shell-thickness
have been obtained in organic solvents (toluene, diethylether or
dioctylether) by means of wet chemistry. All three bimetallic particle
systems are ferromagnetic at low temperatures and superparamagnetic
at room temperature. Coercivity, blocking temperature, and oxidation
stability depend on the thickness of the Co-shell.
The bimetallic heterodimers have been prepared by a seeded-growth
approach in the presence of a cationic surfactant (cetyltrimethylammonium
bromide, CTAB). Hydrophobic CoPt3 and FePt nanoparticles
were transferred into water using CTAB as a phase-transfer agent
and were subsequently used as seeding materials for the reduction of
gold and silver precursors to produce the nanocomposites. Through
the modification of the growth conditions, Au-CoPt3 nanocomposites
with various morphologies (spheres, cubes, rods) were prepared, providing
an opportunity to tailor the optical response of these composite
nanoparticles while maintaining the magnetic properties of the original
seeds, even upon phase transfer into water.
O 60.3 (394) Thu 10:30 MA 005
Density functional studies of bimetallic nanosystems —
•Konstantin Neyman — ICREA, Dept. de Química Física &
IQTCUB, Universitat de Barcelona, Barcelona, Spain
Impressive progress in the computer performance together with drastically
increased software efficiency has been recently achieved. This
enabled computational studies of building blocks of metallic nanostructures
that contain ˜100 (and more) atoms, thus approaching dimensions
of the species dealt with experimentally, to be performed almost
routinely using accurate density functional methods. In this way, even
more complex nanosystems consisting of more than one metal also
became treatable at this high computational level.
Opportunities for density functional calculations of bimetallic
nanosystems will be discussed and the present status of the theoretical
research in the field will be overviewed in the talk. Examples
will be provided to illustrate effects of the second metal M in bimetal-
lic nanoparticles and thin films Pd(1-x)M(x), (M = Zn, Ag, Au) on
the adsorption properties and surface reactivity. Adsorbate-induced
restructuring of bimetallic surfaces will also be addressed.
O 60.4 (705) Thu 11:00 MA 005
Irradiation effects in FePt nanoparticles — Michael Müller
and •Karsten Albe — Institut f. Materialwissenschaft, TU Darmstadt,
Petersenstr. 23, D-64287 Darmstadt
FePt nanoparticles are a promising candidate material for ultra high
density data storage because of their huge magnetic anisotropy energy
in the chemically ordered L1 o phase (fct). Particles can be prepared
in ordered arrays, but are mostly disordered and also occur in
multiply twinned configurations. Since thermal annealing leads to a
destruction of the patterned arrays, alternative methods are needed
to transform the particles into the thermodynamically stable single
crystalline ordered phase. In this contribution we use atomic scale
computer simulations in order to study the possibility of structural
modification and enhanced ordering of L1 o nanoparticles by ion irradiation.
Molecular dynamics simulations are used to investigate defect
production and sputtering as well as phase transformation processes
in twinned and single-crystalline nanoparticles. Lattice-based Kinetic
Monte Carlo simulations are employed in order to study the influence
of athermal vacancies on the ordering kinetics. We compare the case
of He-irradation at low and elevated temperatures while taking into
account defect production and sputtering yields as obtained from our
MD-simulations.
O 60.5 (704) Thu 11:15 MA 005
Non-Intensive Phase Diagrams of Pt-Rd Nanoalloys — Johann
Pohl, •Karsten Albe, and Mathias Nalepa — Institut f.
Materialwissenschaft, TU Darmstadt, Petersenstr. 23, D-64287 Darmstadt
We present computer simulation studies on size dependent phase diagrams
of Pt-Rh nanoparticles, which exhibit ordered low temperature
phases. We will first give a short review of a refined BOS mixing model,
which is used in lattice Monte-Carlo simulations. These simulations
serve as input for the thermodynamic integration of free energies as
function of size and composition. The resulting phase diagrams will
be discussed for different particle sizes. We specifically address the
question of how to interpet a two-phase regions in the phase diagram
and explore the role of surface segregation. Finally, the kinetics of alloying
processes is studied for free and supported particles by dynamic
Monte-Carlo simulations.
O 60.6 (472) Thu 11:30 MA 005
Doping of monoatomic Cu chains with single Co atoms —
•Christophe Nacci, Jérôme Lagoute, and Stefan Fölsch — Paul
Drude Institute for Solid-State Electronics, Hausvogteiplatz 5-7, 10117
Berlin, Germany
Close-packed Co-Cu chains (interatomic spacing 255 pm) of various
length and composition were assembled from single Co and Cu atoms
on Cu(111) by atom manipulation in a low-temperature scanning tunneling
microscope [1]. Co atoms can be attached to monoatomic Cu
chains to terminate the structure but also incorporated into the chain
to occupy a predefined site. Local spectroscopy reveals significant electronic
Co-Cu coupling leading to confined quantum states delocalized
along the heteroatomic chain. The quantum state densities of composite
Co-Cu chains are modified compared to those of pure Cu chains
[2]. The modifications are well reproduced by a simple tight-binding
analysis. Co-Cu chains provide an interesting model case in which the
quantum state of an atomic-scale host structure can be tuned by the
controlled incorporation of foreign atoms.
[1] J. Lagoute, C. Nacci, S. Fölsch, Phys. Rev. Lett. 98, 146804
(2007)
[2] S. Fölsch, P. Hyldgaard, R. Koch, K. H. Ploog, Phys. Rev. Lett.
92, 56803 (2004)
O 60.7 (20) Thu 11:45 MA 005
Optical properties of supported core-shell and alloy silver/gold
nanoparticles — •Frank Hubenthal and Frank Träger
— Universität Kassel, Heinrich-Plett-Str. 40, 34132 Kassel, Germany

For many applications like surface enhanced Raman scattering in which
the optical field enhancement associated with surface plasmon excitation
is exploited, tunability of this collective resonance over a wide
range is required. For this purpose we have prepared core-shell and
alloy nanoparticles consisting of Ag and Au. The core-shell nanoparticles
were made by subsequent deposition of Ag and Au atoms and
vice versa on dielectric substrates followed by diffusion and nucleation.
One of the most interesting among the numerous results is that the
plasmon frequency can be tuned from 2.8 eV (442 nm) to 2.1 eV (590
nm) depending on the Au shell thickness. Subsequent annealing of the
core-shell nanoparticles causes a shift of the resonance frequency to
2.6 eV. Theoretical modelling allows us to attribute this observation
to the formation of alloy nanoparticles. Finally, we have measured the
dephasing time T2 of the alloy nanoparticles by means of spectral hole
burning. T2 amounts to 8.1 +/- 1.6 fs, in good agreement with the
dephasing time T2 = 8.9 fs that is included in the dielectric function
of the bulk.
O 60.8 (613) Thu 12:00 MA 005
Tuning of the particle plasmon resonance in 2D and 3D polymer
nanocomposites with bimetallic alloy particles prepared
Thursday
by vapor phase co-deposition — •Vladimir Zaporojtchenko,
Venkata Sai Kiran Chakravadhanula, Haile Takele, Carolin
Schulz, Thomas Strunskus, and Franz Faupel — Chair for Multicomponent
Materials, Institute for Materials Science, Christian-
Albrechts University at Kiel, Kaiserstr. 2, Kiel, Germany, 24143.
2D- and 3D- nanocomposite films consisting of bimetallic Ag-Cu or
Ag-Au nanoparticles embedded in a nylon matrix were prepared by
co-deposition of the components from three different evaporators in
high vacuum. The microstructure of the nanocomposites and of the
nanoparticles were investigated by TEM, XPS, XAFS, Electron Loss
Spectroscopy and UV-Visible spectroscopy, with a focus on alloy formation,
and the changes of the plasmon resonance bands. Shifts of
the plasmon resonance of bimetallic alloy nanocomposites in a large
spectral range (between 300 and 1000 nm) were observed by varying
the ratio of the involved metals at a constant metal filling factor in
the composites. The influence of substrate temperature on alloy formation
in the core-shell nanoparticles was also studied. Shifting of the
particle plasmon resonance either excited by light absorption or low
energy electron scattering opens a new possibility to study the alloy
formation in bimetallic nanoparticles.
O 61: SYEC: Exact-Exchange and Hybrid Functionals Meet Quasiparticle Energy Calculations I
(Invited Speakers: Gustavo Scuseria, Andreas Görling, Georg Kresse, Angel Rubio, Mark van
Schilfgaarde, Michael Rohlfing; FV: O+HL+DF+TT)
Time: Thursday 9:30–12:30 Location: A 151
See SYEC for details about the program.
O 62: Metal Substrates: Adsorption of Inorganic Molecules
Time: Thursday 9:30–12:30 Location: MA 042
O 62.1 (50) Thu 9:30 MA 042
Tuning Surface Energy Landscapes in Metallic Quantum
Films using Alkali Adsorbates — •Alexander Khajetoorians 1 ,
Shengyong Qin 1 , Wenguang Zhu 2 , Holger Eisele 1 , Zhenyu
Zhang 2 , and Chih-Kang Shih 1 — 1 Department of Physics, University
of Texas at Austin, Austin, Texas, USA — 2 Solid State Division,
Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA
Quantum confinement shows a strong interplay with growth and kinetics
in thin metal systems where the Fermi wavelength has a special
relationship to the surface normal lattice constant. In the case of
Pb/Si(111) systems, this relationship reveals an interesting thicknessdependent
bilayer oscillation in the density of states up to a phase.
In the limit where surface energy oscillations are strong, this interplay
can result in the formation of magic quantum stable islands and film
thicknesses. In this paper, we report on a novel effect: tuning of the
energy landscape of a flat-top quantum Pb mesa using Cs adsorbates.
Using STM/STS, we show that depositing Cs adsorbates on a thin Pb
mesa promotes quantum stable Pb nanoislands on preferentially unstable
thicknesses. Thickness-dependent nanoisland densities show a
strong bilayer oscillation correlating with quantum stability. By modifying
the Cs coverage on the mesa surface, we can tune the lateral size
distribution of the nanoislands and the overall amplitude of the island
density oscillation. Nanoisland formation seems intricately linked to a
step decoration of Cs adatoms along the step edge of the nanoisland.
The role of surface reactivity on these properties will also be discussed.
Support: NSF-IGERT DGE-0549417; NSF-FRG 26-1126-8750
O 62.2 (685) Thu 9:45 MA 042
Quantum size effects on the adsorption of rare gases on Ag
monolayer covered noble metal surfaces — •Frank Forster,
Andreas Nuber, Hendrik Bentmann, Johannes Ziroff, and
Friedrich Reinert — Universtät Würzburg, Experimentelle Physik
II, 97074 Würzburg, Germany
In the recent past it has been demonstrated that Shockley states on
(111) surfaces of Cu, Ag, and Au are a sensitive probe for interactions
between surfaces and adsorbates. Their significant change in binding
energy, band mass and spin-orbit coupling allows an access to the
comprehension of adsorption mechanisms like physisorption. On the
example of Xe monolayers on noble metal surfaces we show vice versa
that the Shockley states influence the adsorption dynamics of rare
gas atoms. For that purpose we present real-time and high resolution
ARPES investigations on Xe adsorption on Cu(111) and Au(111)
substrates with Shockley states modified by a pre-adsorption of layerby-layer
grown Ag-films of various thickness. In the case of Xe on
Ag/Cu(111) we found that the rare gas prefers the adsorption on the
thickest Ag film to the disadvantage of thinner layers or the clean substrate.
A similar behaviour could be observed for Ag/Au(111) with
the exception of a single Ag layer, which is always unfavoured for Xe
coverage. Within a simplified model, the local DOS of the Shockley
state at the modified surfaces are compared to the obtained ARPES
results.
O 62.3 (161) Thu 10:00 MA 042
Insight into water molecules bonding on 4d metal surfaces
— •Javier Carrasco 1 , Angelos Michaelides 1,2 , and Matthias
Scheffler 1 — 1 Fritz-Haber-Institut der Max-Planck-Gesellschaft,
Faradayweg 4-6, 14195 Berlin, Germany — 2 London Centre for Nanotechnology
and Department of Chemistry, University College London,
London WC1E 6BT, United Kingdom
H2O-metal interactions are of capital importance to a wide variety of
phenomena in materials science, catalysis, corrosion, electrochemistry,
etc. Here we address the nature of the bond between water molecules
and metal surfaces through a careful systematic study. Specifically, the
bonding of isolated H2O molecules to a series of close-packed transition
metal surfaces—Ru(0001), Rh(111), Pd(111) and Ag(111)—has been
examined in detail with density functional theory (DFT). Aiming to
understand the origin behind energetic and structural trends along the
4d series we employ a range of analysis tools, such as decomposition
of the density of states, electron density differences, and inspection
of individual Kohn-Sham orbitals. The results obtained allow us to
rationalize the bonding between water and transition metal surfaces
as a balance of covalent and electrostatic interactions. A frontier orbital
scheme based on so-called two-center four-electron interactions
between molecular orbitals of H2O— mainly 3a1 and 1b1—and d band
states of the surface proves incisive in understanding these systems.
O 62.4 (524) Thu 10:15 MA 042
Adsorption and thermal decomposition of NO2 on two

stepped platinum surfaces — •Michael Peter Andreas
Lorenz 1 , Regine Streber 1 , Christian Papp 1 , Andreas Bayer 1 ,
Reinhard Denecke 2 , and Hans-Peter Steinrück 1 — 1 Lehrstuhl für
Physikalische Chemie II, Universität Erlangen-Nürnberg, Egerlandstr.
3, 91058 Erlangen — 2 Wilhelm-Ostwald-Institut für Physikalische und
Theoretische Chemie, Universität Leipzig, Linnéstr. 2, 04103 Leipzig
The adsorption of NO2 on stepped Pt surfaces, namely Pt(322) and
Pt(355), and its behaviour during heating to elevated temperatures was
studied by in-situ high resolution XPS using synchrotron radiation at
BESSY II. The motivation for our study was to obtain high oxygen
precoverages, in order to study CO oxidation on stepped surfaces in
this coverage regime. For the flat Pt(111) surface, Dahlberg et al. [1]
showed that by dosing NO2 oxygen coverages can be obtained, which
are three times higher than those obtained by conventional exposure
to O2; for the more reactive stepped surfaces one could expect even
higher coverages. Our study shows that at low temperatures, up to
250 K, NO2 molecularly adsorbs on both surfaces as could be observed
in the O 1s and N 1s regions. During heating, NO2 starts to decompose
to NO and O above 270 K. Thereby, NO desorbs completely up
to 400 K. Significantly higher oxygen coverages than those formed by
dissociation of O2 can only be reached by adsorption of NO2 at 400 K,
resulting in the formation of clean oxygen layers without any nitrogen
impurities. Supported by BMBF (05 ES3XBAI5).
[1] D. Dahlgren, J. C. Hemminger, Surf. Sci. 123 (1982) L739
O 62.5 (486) Thu 10:30 MA 042
Kinetic passivation of steps with sulfur and CO/S site exchange
processes on stepped Pt surfaces — •Regine Streber 1 ,
Christian Papp 1 , Michael Peter Alexander Lorenz 1 , Andreas
Bayer 1 , Reinhard Denecke 2 , and Hans-Peter Steinrück 1 —
1 Lehrstuhl für Physikalische Chemie II, Universität Erlangen-Nürnberg,
Egerlandstrasse 3, 91058 Erlangen — 2 Willhelm-Ostwald-
Institut für Physikalische und Theoretische Chemie, Universität
Leipzig, Linnéstrasse 2, 04103 Leipzig
We studied the influence of sulfur on the adsorption and thermal evolution
of CO on the stepped Pt(355) and Pt(322) surfaces by in-situ
XPS. At low temperatures, we observe a passivation of the step sites
for both surfaces, along with a decrease of the total CO coverage.
Upon heating the CO covered surfaces a repopulation of the step sites
with CO occurs at 185 K for Pt(355) and 240 K for Pt(322). For
Pt(355), finally the same step coverage as for the clean surface is obtained,
whereas for Pt(322) only half the value of the clean surface is
found. This behavior is attributed to the S induced formation of double
steps on Pt(322), which are stable in the investigated temperature
range. From the lifting of the step passivation by sulfur upon heating
for both surfaces we conclude that, under the experimental conditions
applied, an occupation of steps sites by CO is energetically favored
over occupation with S, with the CO-S site exchange process being
kinetically hindered at low temperatures. The differences found for
the two different step orientations are attributed to differences in the
electronic structure and local adsorption sites. Supported by BMBF
(05 ES3XBA/5).
O 62.6 (204) Thu 10:45 MA 042
Adsorption of CO on Ni decorated Rh(553) — Priyanka
Singnurkar, Hans Peter Koch, and •Robert Schennach — Instiute
of Solid State Physics, Graz University of Technology, Austria
Carbon monoxide is a widely used probe molecule in surface science.
In addition, it is an important reactant and intermediate in several
catalytic reactions (e.g. oxidation of carbon monoxide to carbon dioxide
in automotive catalysts), making the adsorption and reaction of
carbon monoxide a thoroughly investigated system on many different
metal surfaces. In the work presented here, the adsorption and desorption
of carbon monoxide on Ni decorated steps on Rh(553) has been
studied using reflection absorption infra red spectroscopy (RAIRS) and
thermal desorption spectrometry (TDS). Previous scanning tunneling
microscopy (STM) experiments have shown, that the Rh(553) surface
has rather stable mono atomic steps. The steps are (111) oriented and
the (111) terraces are 4 atomic rows wide, as can be predicted from the
crystal structure. The steps of the Rh(553) surface can be decorated
by evaporating about 0.2 mono layer Ni under ultra high vacuum conditions
and at a substrate temperature of 150 ◦ C, leading to one to two
atoms wide Ni wires running along the steps of the Rh(553) substrate,
according to STM data. No carbon monoxide dissociation is found
when the steps are decorated with Ni. TDS results and RAIRS results
on the Ni decorated surface are discussed with respect to the results
obtained with the clean Rh(553) surface.
Thursday
O 62.7 (510) Thu 11:00 MA 042
Towards a full undertanding of the “CO Adsorption”puzzle:
advanced many-body electronic structure calculations of COadsorbed
Cu custers — •Xinguo Ren 1 , Patrick Rinke 2 , and
Matthias Scheffler 1,2 — 1 Fritz-Haber-Institut der MPG, 14195
Berlin, Germany — 2 Materials Reserach Lab, University of California
at Santa Babara, CA 93106
Density functional theory, within its present-day local/semi-local approximations
(LDA/GGA), has known difficulties for describing certain
surface chemical processes. For instance, for a CO molecule adsorbed
at the Cu(111) surface, both LDA and GGA predict the wrong
adsorption site, favoring the threefold-coordinated hollow site rather
than the onefold-coordinated top one [1]. The energetic order of these
two adsorption sites can be correctly reversed by applying a “local XC
correction”scheme [2], in which an exchange-correlation (XC) energy
correction can be obtained by using an improved XC treatment for
relatively small clusters. However, such single-point total energy calculations
do not reveal the underlying mechanism behind the improved
description. To shed new light on the “CO adsorption puzzle”we have
performed quasiparticle energy calculations for CO adsorbed on selected
Cu clusters in second-order Møller-Plesset perturbation theory
and the GW approach. The resultant energy spectra are analyzed
in terms of charge transfer and energy level shifts with respect to
LDA/GGA. [1] Feibelman et al., J. Phys. Chem 105, 4018 (2001). [2]
Q.-M. Hu, K. Reuter, and M. Scheffler, Phys. Rev. Lett 98, 176103
(2007); 99, 169903(E) (2007).
O 62.8 (191) Thu 11:15 MA 042
New adsorption states of carbon monoxide on Cu(110) —
•Erkan Demirci and Adolf Winkler — Graz University of Technology,
Institute of Solid State Physics, Graz, Austria
The adsorption of carbon monoxide on a Cu(110) surface has been
investigated by Auger electron spectroscopy (AES), thermal desorption
spectroscopy (TDS) and low energy electron diffraction (LEED).
The carbon monoxide desorption spectra as known from literature exhibit
only a peak at 210K (α state) when adsorption takes place at T
= 100 K -150 K, correlated with a (2x1) superstructure [1,2]. When
CO is adsorbed at 180 K and using high enough exposure the TDS
clearly shows additional peaks at 245 K, 290 K and 355 K (β1, β2,
β3 states). The population of these peaks is adsorption temperature
dependent. The peak maxima of β1 and β2 shift to higher temperature
with increasing coverage, in contrast to the α and β3 peaks,
which show coverage independent peak maxima. LEED shows a (1x2)
superstructure when CO is adsorbed at 300 K. From these results we
conclude that a missing row reconstruction is induced by CO, which
leads to the new adsorption states. Additional quantitative TDS and
angle resolved TDS measurements were performed to support this idea.
Financial support by the Austrian Science fund (FWF), Proj. No. P
20026 is gladly acknowledged.
[1] C. Harendt, J. Goschnick and W. Hirschwald, Surf. Sci. 152/153
(1985) 453
[2] K. Horn, M. Hussain and J. Pritchard, Surf. Sci. 63 (1977) 244
O 62.9 (696) Thu 11:30 MA 042
Monte-Carlo lattice gas simulation of the thermal desorption
behavior of CO from PtxAu1−x/Pt(111) surface alloys —
•Harry E. Hoster 1 , Yoshihiro Gohda 2 , Andreas Bergbreiter 1 ,
Menhild Eyrich 1 , Joachim Bansmann 1 , Axel Groß 2 , and R.
Jürgen Behm 1 — 1 Institute of Surface Chemistry and Catalysis, Ulm
University, 89069 Ulm, Germany — 2 Institute of Theoretical Chemistry,
Ulm University, 89069 Ulm, Germany
The thermal desorption behavior of CO adsorbed on
PtxAu1−x/Pt(111) surface alloys was studied by Monte Carlo simulations
in a lattice gas approximation [1,2], comparing different Pt:Au
ratios and initial COad coverages. Based on thermal desorption data
and DFT calculations, the CO molecules preferentially occupy Pt
on-top sites of PtxAu1−x/Pt(111) surface alloys, and the adsorption
energies are approximately constant for different numbers of
neighboring Au atoms (ligands). Au sites are not occupied at room
temperature. The atomic distribution in the surface layer used in
the simulations was derived from STM data with chemical contrast,
and the adsorption energies stem from DFT calculations. At higher
COad-coverages, the CO-CO repulsions are considered via a pair interaction
parameter determined by fitting to the experimental data.
The accuracy of the lattice gas approach for inhomogeneous surfaces
is discussed by comparing with the experimental thermal desorption

data.
[1] J.L.Sales, G.Zgrablich, V.P.Zhdanov, Surf.Sci 209(1989)208
[2] V.P.Zhdanov, J.L.Sales, R.O.Unac, Surf.Sci.Lett.381(1997)L599
O 62.10 (177) Thu 11:45 MA 042
CO adsorption on bimetallic AuxPt1−x surface alloys studied
by TPD and IRAS — •Menhild Eyrich, Heinrich Hartmann,
Thomas Diemant, Andreas Bergbreiter, Harry Hoster, Joachim
Bansmann, and Rolf Juergen Behm — Institute of Surface Chemisty
and Catalysis, Ulm University, D-89069 Ulm, Germany
The interaction of CO with bimetallic AuxPt1−x surface alloys supported
on Pt(111) is investigated by temperature programmed desorption
and infrared reflection absorption spectroscopy to study the
influence of the Au content on the chemical properties of the surface
alloys. The surface composition and the distribution of surface atoms
were determined by scanning tunnelling microscopy, showing a tendency
for the segregation of both metals on the surface. Due to the
preference for the formation of homo-atomic domains, the adsorption
of CO on the Pt part of the surface alloys is only weakly affected up to
very high Au concentrations and very similar to the pristine Pt(111).
This behaviour is manifested in an almost constant initial CO desorption
energy and the successive occupation of on-top and bridged
adsorption sites with increasing CO coverage. Since the adsorption of
CO is not possible on the Au part of the surface alloys under the conditions
of this study, a decrease of the CO saturation coverage and of
the initial sticking coefficient are observed with increasing Au content.
O 62.11 (468) Thu 12:00 MA 042
CO adsorption on Ag/Pd(111) surface alloy — •Yunsheng Ma,
Joachim Bansmann, and Rolf Jürgen Behm — Institute of Surface
Chemistry and Catalysis, Ulm University, D-89069 Ulm
The growth of Ag on Pd(111), Ag/Pd surface alloy formation and the
chemical properties of these surfaces using CO probe molecules were
studied by X-ray Photoemission Spectroscopy (XPS), CO Temperature
Programmed Desorption (TPD) and High Resolution Electron
Energy Loss Spectroscopy (HREELS). At room temperature, thermal
evaporation of Ag leads to a layer-by-layer growth mode on Pd(111)
[1]. Annealing the Ag film induces a down-shift of the binding energy
Thursday
of the Ag 3d peak by 0.6 eV, indicating surface alloy formation. CO
desorption peaks in the temperature range between 350 K and 500 K
are observed upon varying the Ag/Pd ratio of the surface alloy. The
different CO TPD peaks obtained on Ag/Pd surface alloys can be attributed
to CO desorption from different Pd/Ag or Pd ensemble. The
results are discussed in comparison with previous experimental and
theoretical results on Au/Pd(111) [2].
[1] B. Eisenhut, J. Stober, G. Rangelov, Th. Fauster, Phys. Rev. B
47 (1993) 12980
[2] M. Ruff, N. Tahehiro, P. Liu, J.K. Norskov, R.J. Behm, Chem.
Phys. Chem. 8 (2207) 2068
O 62.12 (186) Thu 12:15 MA 042
Interaction of CO and H2 with Zn/ZnO modified Pd(111) surfaces
— •Markus Kratzer 1 , Anton Tamtögl 1 , Jörg Killmann 1 ,
Robert Schennach 1 , Adolf Winkler 1 , Gunter Weirum 1 , and
Svetlozar Surnev 2 — 1 Institute of Solid State Physics, Graz University
of Technology — 2 Department of Physics, Karl-Franzens University
Graz
Due to its increased use in methanol reforming the Zn/Pd and ZnO/Pd
system came to the fore of surface science. Especially, the interaction
with CO and hydrogen with these surfaces is of specific importance. In
this work the adsorption/desorption kinetics of CO and H2 on Zn and
ZnO thin film covered Pd(111) was studied using TPD, LEED, AES
and STM. TPD, LEED and AES results show that the ZnO modified
palladium surfaces undergo a change in the surface configuration
during CO and H2 desorption due to reduction of the ZnO layer. In
case of CO-TPD temperatures up to 650 K are required, which additionally
lead to the formation of a ZnPd alloy. In the literature one
can find UPS measurements as well as DFT based calculations that
point out that ZnPd alloys should have similar electronic properties as
the Cu(111) surface [1]. Indeed, CO desorption on Zn covered Pd(111)
shows a similar low temperature desorption peak at 220 K as measured
on Cu-surfaces [2].
This work was supported by the Austrian Science Fund: Project Nr.
P20016 and P19198.
[1] A. Bayer et.al. Surface Science, 600 (2006) 78
[2] S. Vollmer et.al. Catalysis Letters 77 (2001) 97
O 63: Symposium: Frontiers of Surface Sensitive Electron Microscopy II (Invited Speakers:
Jürgen Kirschner, Liviu Chelaru, Michael Bauer, Claus Schneider)
Time: Thursday 9:30–12:30 Location: MA 043
O 63.1 (124) Thu 9:30 MA 043
Development of a “momentum microscope” for imaging of valence
band electron states — •Juergen Kirschner 1 , Burkhard
Kroemker 2 , and Matthias Escher 3 — 1 MPI fuer Mikrostrukturphysik,
Weinberg 2, 06120 Halle — 2 Omicron Nanotechnology GmbH,
Taunusstein — 3 Focus GmbH, Hünstetten-Hesselsbach
Our aim is to image the momentum distribution of photoexcited valence
band electron states in an energy plane through the Brillouin
Zone. Our design is based on a modified NanoESCA comprising a
Photoelectron Emission Microscope (PEEM) with an imaging energy
filter. The basic idea is not to use the real space image from the objective
lens but to transfer the momentum image in the focal plane into a
hemispherical analyzer by an additional transfer lens. The aberrations
of the analyzer are compensated by a second hemisphere such that
the inner electron trajectories in the first sphere become the outer trajectories
in the second sphere. Thus, an aberration corrected image
of the angular distribution of the electrons leaving the sample within
a certain area (˜ 70 µm diameter) appears at the exit of the second
analyzer. The projected image displays the dispersion of the valence
electrons within a plane of constant energy. The full valence band can
be observed by a sequence of parallel cuts through the Brillouin zone.
Because of the parallel detection of all electrons within a given energy
window the process is very fast. We demonstrate with a Cu(111) surface
and a standard discharge laboratory source (HeI) that complete
dispersion planes can be obtained within a couple of minutes.
O 63.2 (382) Thu 10:00 MA 043
Imaging Surface Plasmon Polaritons: Time-resolved Two-
Photon Photoelectron Emission Microscopy — •Liviu I.
Chelaru — Institut für Festkörperforschung, Elektronische Eigen-
schaften, Forschungszentrum Jülich, Germany
Routing and manipulation of light on nanoscale metallic circuits as
surface plasmon polaritons (SPPs) is seen today as a way of integrating
microscale photonics and nanoscale electronics on the same
chip. A fundamental understanding of the interaction between light
and metallic nanostructures is an essential prerequisite for the realisation
of functional devices based on SPPs. In this presentation I will
focus on the excitation and propagation of SPPs in single-crystalline
Ag nanostructures of different shapes and sizes that are formed in-situ
by self-assembly during deposition on Si surfaces. Imaging of the SPPs
is accomplished by time-resolved two-photon photoelectron emission
microscopy (TR-2PPEEM). Here the excited SPP wave is visualised
as a result of the interference (beat pattern) between the laser pulses
and the travelling SPP wave at the sample surface. I will present timeresolved
high-resolution images of the propagating SPP waves recorded
using a pump-probe setup. The problem of guiding the SPP waves,
and the coupling of light into and out of the nanostructures is discussed
by comparing nanostructures of different geometry.
O 63.3 (407) Thu 10:30 MA 043
A PEEM Study of the Substrate Dependence of Pentacene
Thin Film Growth on Silicon — •Simone Möllenbeck 1 , Dagmar
Thien 1 , Peter Kury 1 , Kelly R. Roos 1,2 , Dirk Wall 1 , Michael
Horn-von Hoegen 1 , and Frank-J. Meyer zu Heringdorf 1 —
1 Department of Physics and Center for Nanointegration Duisburg-
Essen (CeNIDE) Universität Duisburg-Essen, D-47057 Duisburg, Germany
— 2 Department of Physics, Bradley University, Peoria, IL 61625,
USA
We used Photoemission Electron Microscopy (PEEM) to compare the
well known behavior of Pentacene on Si(001) with the growth of Pen-

tacene on different silicon surfaces with orientations between Si(111)
and Si(001). The growth mode and morphology of Pentacene films are
neither changed by an increase of the surface step density nor by the
transition from a threefold to a twofold symmetry of the surface. An
explanation for the observed behavior is the covalently bonded, disordered
wetting layer, that acts as an interfactant layer and isolates the
film from substrate defects and the substrate’s structure. Furthermore,
we have studied the electronic properties of thin Pentacene films on
Si(001) with time-resolved PEEM. As result we get spatially resolved
pump-probe traces whereby a ”lifetime map”can be generated. The
observed lifetime τ = 200fs for electronic excitation in the Pentacene
wetting layer is by a factor two smaller than the lifetime for the first
layer. We attribute this to the difference in electronic coupling of
the monolayers to the substrate, that is also apparent in the different
work-function of these layers.
O 63.4 (164) Thu 10:45 MA 043
Subwavelength control of nano-optical fields probed by
non-linear PEEM — Martin Aeschlimann 1 , •Michael Bauer 2 ,
Daniela Bayer 1 , Tobias Brixner 3 , F. Javier Garcia de Abajo 4 ,
Walter Pfeiffer 5 , Martin Rohmer 1 , Christian Spindler 6 , and
Felix Steeb 1 — 1 FB Physik, TU Kaiserslautern — 2 IEAP, Universität
Kiel — 3 Inst. für Phys. Chemie, Universität Würzburg — 4 CSIC,
Madrid — 5 Fakultät für Physik, Universität Bielefeld — 6 FZ Jülich
Theoretically it has been demonstrated that the interaction of
polarization-shaped laser pulses with a nanostructure allows the control
of the spatial and temporal evolution of an optical near-field [1].
Recently we succeeded in demonstrating this scheme experimentally
[2]. Silver nano-particles are illuminated with polarization shaped femtosecond
laser pulses. The near-field in the vicinity of these nanostructures
is mapped by the two-photon photoemission pattern as recorded
using a photoemission electron microscope. We show that the emission
pattern depends on the time-dependent polarization state of the laser
pulse. Furthermore, the adaptive polarization pulse shaping technique
allows optimizing a particular emission pattern with sub-diffraction
resolution. The experiments show that the local interference of the optical
near-fields generated by the two orthogonal incident polarization
components can be utilized to manipulate the local field distribution
in space and time.
[1] T. Brixner et al., Phys. Rev. Lett. 95, 093901 (2005). [2] M.
Aeschlimann et al., Nature 446, 301 (2007).
O 63.5 (591) Thu 11:15 MA 043
Energy and time resolved photoelectron emission microscopy
(PEEM) measurements of nanostructured surfaces
— •Christian Schneider 1 , Martin Rohmer 1 , Daniela Bayer 1 ,
Michael Bauer 2 , and Martin Aeschlimann 1 — 1 Department of
Physics, TU Kaiserslautern, Erwin Schrödinger Str. 46, 67663 Kaiserslautern
— 2 Institut für Experimentelle und Angewandte Physik,
Christian-Albrechts-Universität zu Kiel, 24908 Kiel
The combination of two photon photoemission and photoelectron emission
microscopy is a versatile tool to study electron dynamics at nanostructured
surfaces with high spatial and temporal resolution. The fast
parallel image acquisition allows to obtain ”lifetime maps” with a temporal
accuracy of a few femtoseconds, however, in general without any
spectral selectivity. In the past year, our setup was upgraded with an
interchangeable delayline-detector allowing simultaneously energy resolved
measurements. The performance and the high energy resolution
provided with this detector will be demonstrated at the example of the
Shockley surface state of Cu (111). The simultaneous access to space,
time and energy by the combination of PEEM, time-resolved 2PPE
and delayline-detector provides thus the potential to study coupling
effects between nanoparticles as well as plasmon decay in realtime.
We will show first results of specially shaped silver nanoparticles measured
with high spatial, temporal and spectral resolution, including
lifetime-maps created for different electron energies.
O 63.6 (439) Thu 11:30 MA 043
Thursday
Probing thin film magnetism by photoemission microscopy
— •Claus M. Schneider — Institut f. Festkörperforschung IFF-9,
Forschungszentrum Jülich, D-52425 Jülich, Germany
X-ray photoemission microscopy (X-PEEM) has matured into a versatile
tool for high-resolution studies of thin film and surface magnetism.
Exploiting the intrinsic time structure of the synchrotron radiation
even time-resolved investigations on the sub-nanosecond time
scale have become possible. This contribution will address the opportunities
and perspectives of photoemission microscopy in the field of
magnetism. In this course we will give examples for the information
that can be obtained from static XPEEM experiments on the magnetic
domain structures and coupling phenomena in heteromagnetic
film systems. Time-resolved experiments reveal a wealth of micromagnetic
processes governing the dynamics of magnetic microstructures on
the nanosecond and sub-nanosecond regime [1].
[1] G. Schönhense, H.-J. Elmers, S.A. Nepijko, and C. M. Schneider, in:
Advances in Imaging and Electron Physics Vol. 142, ed. P. Hawkes.
(Academic Press, London, 2006).
O 63.7 (440) Thu 12:00 MA 043
Microscopic investigation of exchange bias in Ni/FeMn bilayers
— •Florian Kronast, Joachim Schlichting, Ruslan Ovsyannikov,
Florin Radu, Shrawan Mishra, Hermann Dürr, and Wolfgang
Eberhardt — BESSY GmbH , Berlin, Germany
The exchange interaction at the interface between an antiferromagnet
(AF) and a ferromagnet (FM) is responsible for exchange bias, i.e. an
unidirectional anisotropy seen by a shift of the FM hysteresis loop. Element
specific magnetic imaging by photoelectron emission microscopy
(PEEM) is a powerful tool to investigate the arrangement of magnetic
moments near the interface. Recent PEEM studies of Co/FeMn bilayers
demonstrated the presence of uncompensated Fe and Mn spins at
the AF interface [1]. But their influence on the exchange bias could
not be revealed so far.
Here we report on the first attempt to investigate the magnetic interface
coupling in Ni/FeMn bilayers by PEEM using applied magnetic
fields during imaging. A magnetic yoke was especially designed to minimize
the deflection of photoelectrons by the Lorentz force. We studied
the domain structure in the FM layer and the arrangement of magnetic
moments at the interface of the AF as a function of magnetic field. Our
main objective was to obtain a nano-scale image of the exchange bias
strength in Ni/FeMn bilayers and correlate this with the magnetic arrangement
of uncompensated spins at the AF interface. Saturating
the FM layer by the applied magnetic field we can separate pinned
and unpinned spins at the interface of the AF which are expected to
be essential for the exchange bias. [1] PRB 75, 224406 (2007)
O 63.8 (529) Thu 12:15 MA 043
Imaging ferroelectric domains with reflected low energy electrons
— •Salia Cherifi — CNRS-Institut Neel, BP166, F-38042
Grenoble, France
In the very-low electron energy regime, reflected electrons from a specimen
mirror are highly sensitive to topography and to electric surface
potential. The sensitivity of the so-called mirror electron microscopy
have been exploited in this study for imaging periodic -up and downferroelectric
nano-strips designed on thin ferroelectric films and multiferroics.
The ferroelectric domains have been written with a conducting
tip of an atomic force microscope (AFM) and imaged initially
using piezoelectric force microscopy (PFM). The images obtained in
mirror electron microscopy (MEM) show periodic bright and dark microstripes
that can be clearly matched to the ferroelectric domains
imaged with PFM. AFM measurements performed prior and after the
mirror electron microscopy experiment exclude the contribution of topography
in the MEM contrast and confirm the possibility of imaging
ferroelectric domains using MEM. This direct imaging mode will open
new possibilities -especially when combined with PEEM- for the study
of dynamical processes in ferroelectric systems and multiferroics.

O 64: Metal Substrates: Adsorption of Organic/Bio Molecules IV
Thursday
Time: Thursday 11:15–12:45 Location: HE 101
O 64.1 (274) Thu 11:15 HE 101
Molecular Recognition on Surfaces: Controlling Dimensionality
and Periodicity of Supramolecular Tetraarylporphyrin
Assemblies by the Interplay of Cyano and Alkoxy Substituents
— •Nikolai Wintjes 1 , Jens Hornung 2 , Jorge Lobo-
Checa 1 , Tobias Voigt 2 , Tomáˇs Samuely 1 , Carlo Thilgen 2 , Meike
Stöhr 1 , François Diederich 2 , and Thomas Jung 3 — 1 Department
of Physics, University of Basel, CH-4056 Basel — 2 Laboratorium für
Organische Chemie, ETH-Zürich, Hönggerberg, HCI, CH-8093 Zürich
— 3 Laboratory for Micro- and Nanotechnology, Paul Scherrer Institute,
CH-5232 Villigen PSI
The self-assembly of three porphyrin derivatives was studied in detail
on a Cu(111) substrate by means of Scanning Tunneling Microscopy
(STM). All derivatives bear two 4-cyanophenyl substituents in opposing
meso-positions of the porphyrin core but differ in the nature of
the other two meso-alkoxyphenyl substituents. At coverages below 0.8
monolayers, two derivatives form molecular chains which evolve into
nanoporous networks at higher coverages. The third derivative selfassembles
directly into a nanoporous network without showing a onedimensional
phase. The pore-to-pore distances for the three networks
depend on the size and shape of the alkoxy substituents. All observed
effects are explained by (i) an interplay between the steric demand
of the alkoxy residues, (ii) polar bonding involving both cyanophenyl
and alkoxyphenyl substituents, and (iii) the entropy/enthalpy balance
of the network formation.
O 64.2 (338) Thu 11:30 HE 101
A structural study of porphyrins interacting with a metallic
surface — •Jens Brede, Germar Hoffmann, and Roland Wiesendanger
— Institut of Applied, University of Hamburg
A Porphyrin is a heterocyclic macrocycle derived from pyrrolic subunits
interconnected via methine bridges. Porphyrins are an ubiquitous
class of naturally occurring compounds with important biological
representatives including hemes and chlorophylls. We prepared various
tetra phenyl prophyrins (TPP) with different central metal (M) ions on
metallic substrates. The molecular systems were investigated by scanning
tunnelling microscopy and spectroscopy. The experiments were
performed in a home-built low temperature STM working at 6 K in
ultra-high vacuum conditions. Upon deposition of porphyrins on metal
substrates the aromatic core of the molecule may undergo a structural
deformation depending on the details of the molecule-substrate interaction.
We will discuss the structural conformation of TPPs and their
electronic properties.
O 64.3 (470) Thu 11:45 HE 101
Ordering Aspects of Porphyrin Derivates on Ag(111) —
•Hubertus Marbach, Florian Buchner, Karmen Comanici, and
Hans-Peter Steinrück — Universität Erlangen-Nürnberg, Lehrstuhl
für Physikalische Chemie II, D-91058 Erlangen
Porphyrins appear to be ideal candidates to generate functional molecular
devices, due to their self assembly properties and their versatile
functionality. In the present contribution, we focus on general aspects
of ordered phases of different porphyrin derivates in the monolayer
regime on Ag(111) investigated by STM. Tetraphenylporphyrins
(TPP) always appear to arrange themselves in a square configuration,
with a lattice constant of 1.4 nm at RT, independent of the central
metal ion. Micrographs with submolecular resolution reveal the details
of the molecular arrangement and allow to identify a ”T-type” intermolecular
interaction in between the phenyl substituents as the main
reason for the observed ordering. Interestingly, the TPP molecules
tend to rearrange upon exposure to large doses of small molecules
(e.g., NO), which is interpreted as due to coadsorption of the dosed
molecules. In contrast to TPP, the more bulky Tetrakis-(3,5-di-tertbutyl)-phenyl
porphyrins (TTBPP) exhibit different coexisting phases.
An specific route to prepare a monolayer, namley the thermal desorption
of exess multilayers, leads to an extremley stable CoTTBPP layer,
due to a highly interwoven structure. The role of intermolecular and
intramolecular interactions and adsorbate/substrate interactions in respect
to the observed phases and 2D-chirality aspects will be dicussed.
This work has been funded by Sonderforschungsbereich 583.
O 64.4 (435) Thu 12:00 HE 101
Formation, electronic structure, and reactivity of adsorbed
metalloporphyrin complexes — •J. Michael Gottfried, Ken
Flechtner, Yun Bai, Andreas Kretschmann, Marie-Madeleine
Walz, Andreas Bayer, and Hans-Peter Steinrück — Universität
Erlangen-Nürnberg, Lehrstuhl für Physikalische Chemie II
Supported metal complexes are promising candidates for novel, regularly
nanostructured catalysts. The coordinated metal centers represent
well-defined active sites, which are immobilized by anchoring
the ligands to a solid surface. Thus, these systems combine the advantages
of homogeneous and heterogeneous catalysts. To develop
a fundamental understanding of their functional principles, we have
studied the formation, the electronic structure, and the reactivity
of various porphyrin-based metal complexes on Ag(111) using photoelectron
spectroscopy and complementary techniques. Specifically,
we will discuss the axial coordination of NO on adsorbed Co(II)tetraphenylporphyrin
(CoTPP) and the influence of this ligand on
the electronic interaction between the Co ion and the underlying Ag
surface. 1 In addition, the formation of the complex H3N-ZnTPP (by
reaction between tetraphenylporphyrin, Zn, and NH3 on an Ag(111)
surface) will be used to illustrate a novel two-step route for the in-situ
synthesis of adsorbed metalloporphyrin complexes. 2 — Supported by
the DFG through SFB 583. — [1] K. Flechtner, A. Kretschmann, H.-P.
Steinrück, J.M. Gottfried, J. Am. Chem. Soc. 129 (2007) 12110. —
[2] K. Flechtner, A. Kretschmann, L.R. Bradshaw, M.M. Walz, H.-P.
Steinrück, J.M. Gottfried, J. Phys. Chem. C 111 (2007) 5821.
O 64.5 (513) Thu 12:15 HE 101
Voltage-dependent contrast of Co-Tetraphenylporphyrin
Molecules on Ag(111) — •Florian Buchner, Karmen Comanici,
Ken Flechtner, Thomas Lukasczyk, J. Michael Gottfried, Hubertus
Marbach, and Hans-Peter Steinrück — Lehrstuhl für
Physikalische Chemie II, Universität Erlangen-Nürnberg, Egerlandstr.
3, 91058 Erlangen
The self-assembly of molecules on single-crystal surfaces is an approach
towards the creation of novel materials with outstanding properties.
Porphyrins represent a group of molecules which are of great interest
for applications as well as for fundamental research. In this contribution,
it will be shown that the appearance of tetraphenylporphyrins
(TPP) in scanning tunneling microscopy (STM) topographs strongly
depends on the applied bias voltage. Here we report the observation
and identification of certain features in STM images of CoTPP layers
on Ag(111). A significant portion of an ordered monolayer of CoTPP
appears as depression at bias voltages around -1 V. At reduced negative
bias voltages, the contrast of the depressions fade and at bias voltages
around +1 V, the contrast is inverted. Investigating the electronic
structure of CoTPP and 2HTPP layers by means of ultraviolet photoelectron
spectroscopy (UPS) and scanning tunneling spectroscopy
(STS), the contrast mechanism could be clarified, enabling us to interpret
the depressions as 2HTPP. Additional evidence could be provided
by imaging layers of different mixtures and by high-resolution STM images
of the features in CoTPP. This work has been funded by the DFG
through Sonderforschungsbereich 583.
O 64.6 (197) Thu 12:30 HE 101
Conformational study of FeTPC molecules on Cu(111) with
STM — •Stefan Kuck, Germar Hoffmann, and Roland Wiesendanger
— Institute of Applied Physics, Jungiusstr. 9a, 20355 Hamburg
When porphyrin molecules are studied on surfaces, an important issue
is the conformation of the molecule. So far, it was not possible
to determine with STM whether the molecules are in a saddle or in a
planar geometry. To answer this question, we introduce corroles as a
new class of molecules in the field of STM studies, which are related
to porphyrins but with reduced symmetry. Here, we address Iron-Tri-
Phenyl Corrole (FeTPC) molecules deposited on the Cu(111) surface
with scanning tunneling microscopy. We will discuss the bending of
the corrole core into the saddle conformation and the configuration of
the phenyl legs in contact with the metallic substrate.

O 65: Methods: Theory and Experiment
Thursday
Time: Thursday 12:00–14:45 Location: MA 141
O 65.1 (92) Thu 12:00 MA 141
Quantum well states and Rashba-type spin-orbit splitting in
ultrathin Bi films — •Gustav Bihlmayer 1 , Yury M. Koroteev 2,3 ,
Eugene V. Chulkov 3,4 , and Stefan Blügel 1 — 1 Institut für
Festkörperforschung, Forschungszentrum Jülich, 52425 Jülich, Germany
— 2 Institute of Strength Physics and Materials Science, RAS,
634021, Tomsk, Russia — 3 Donostia International Physics Center
(DIPC), 20018 San Sebastiàn, Spain — 4 Departamento de Física de
Materiales, UPV/EHU, 20080 San Sebastiàn, Spain
In this contribution a systematic study of the electronic properties of
thin (1 − 6 bilayers) films of the semimetal bismuth in (111) and (110)
orientation is presented, employing calculations based on density functional
theory. Due to the different coordination of the atoms in these
two different surfaces, a large variation of the conducting properties
of the films is found, ranging from small-bandgap semiconducting to
semimetallic and metallic. The evolution of the Bi(111) and Bi(110)
surface states is studied as a function of the film thickness and by
comparison to thicker films and simulations of the semiinfinite crystals.
Interesting features arise from the strong spin-orbit effects in Bi
and the resulting Rashba-type spin-splitting of the surface states. The
spin-polarization of these states can be seen to change as these states
transform into quantum well states at the Brillouin zone boundary.
These results will be compared with recent experimental results on
thin Bi films on Si substrates.
[1] T. Hirahara et al., Phys. Rev. B 76, 153305 (2007)
[2] T. Hirahara et al., Phys. Rev. Lett. 97, 146803 (2006)
O 65.2 (523) Thu 12:15 MA 141
Efficient calculation of electronic band structure and the
application to angular resolved photoemission spectroscopy
experiments — •Victor Joco 1 , Nikolai Mikuszeit 2 , Jesús
Martínez Blanco 3 , and Enrique García Michel 3 — 1 Centro de
Microanalisis de Materiales, Univ. Autónoma de Madrid, Spain —
2 Institute of Applied Physics, Univ. of Hamburg, Germany — 3 Dpto.
Física de la Materia Condensada, Univ. Autónoma de Madrid, Spain
Angular resolved photoemission spectroscopy (ARPES) is an experiment
to directly probe the valence band electronic structure of solids.
Theoretical band structure calculations are of great help in understanding
the ARPES data. A tight binding (TB) model interpolates
the results from first-principles calculations or even experiments.
This approach correctly shows all symmetry properties of the energy
bands. The precision of the results are of comparable accuracy to
first-principles calculations but three orders of magnitude faster.
A simulation program for comprehensive energy band and constant
energy surfaces calculations has been developed. Based on the TB
model the program allows precise calculation of constant energy surfaces,
band structure in arbitrary surface directions and projected bulk
band plots. An optimized general isosurface calculation for accurate
energy surfaces as well as broadening of initial and final states have
been implemented to simulate data close to ARPES experiments. The
speed on a standard personal computer enables almost instant simulation
during experiment. The calculations are compared to ARPES
measurements on Cu(111).
O 65.3 (325) Thu 12:30 MA 141
Anisotropic electron-phonon coupling strength at the
Be(0001) surface — M. Fuglsang Jensen 1 , •E. D. L. Rienks 1 , T.-
Y. Chien 2 , I. Yu. Sklyadneva 3 , A. Eiguren 3 , P. M. Echenique 3 ,
E. V. Chulkov 3 , E. W. Plummer 2 , and Ph. Hofmann 1 — 1 Institute
for Storage Ring Facilities, University of Aarhus, ˚Arhus, Denmark
— 2 Department of Physics and Astronomy, University of Tennessee,
Knoxville, Tennessee, USA — 3 Donostia International Physics Center,
San Sebastian, Basque Country, Spain
Electronic surface states are useful model systems for understanding
many-body effects in solids, such as electron-phonon coupling (EPC).
Advances in angle-resolved photoemission spectroscopy not only allow
one to assess the strength of the EPC, but also enable experimental
determination of the Eliashberg function, that fully characterizes the
electron phonon coupling in a given system.
Although the electronic structure of the Be(0001) surface is well
studied, there is no agreement on the strength of the EPC at this surface.
This strength is described by the mass enhancement parameter
λ. An anisotropic coupling might account for this discrepancy, as these
results are obtained along different crystal directions.
This study is aimed at obtaining a full description of EPC at this
surface. Experimentally, the Eliashberg function (and λ) can be determined
from the renomalized dispersion of the Γ surface state at the
Fermi energy crossing. Preliminary results show that there is indeed a
substantial variation of λ between the ΓM and the ΓK directions. The
same trend is observed in a first principles study of this system.
O 65.4 (385) Thu 12:45 MA 141
Electronic transport over single atoms — •Martyna Polok,
Dmitry V. Fedorov, Peter Zahn, and Ingrid Mertig — Department
of Physics, Martin Luther University Halle-Wittenberg, 06099
Halle (Saale), Germany
Scanning Tunneling Microscope (STM) experiments are important examples
of the tunneling through single atoms. We try to develop a
general understanding of the transport phenomena in complex structures
through a case study of the STM setup.
The density functional theory (DFT) in the Korringa-Kohn-
Rostoker (KKR) Green’s function formulation is implemented to obtain
the ground state electronic structure of the system. The transport
properties are calculated in the linear response limit using the Baranger
and Stone formalism.
In our ab initio investigation we consider a Cu and Co STM tip approaching
a Cu (001) surface decorated with a single Cu or Co adatom.
Depending on the chemical and geometrical structure of the constriction
different transport channels contribute to the total conductance.
Based on the spatial current distribution we can classify the open eigenchannels
according to the symmetry of different angular momentum
contributions i.e. the type of valence orbitals available at the Fermi
energy.
The aim of this work is to demonstrate the interplay between the
structure of the constriction and the electronic transport properties.
O 65.5 (663) Thu 13:00 MA 141
Spin-orbit split two-dimensional electron gas with tunable
Rashba and Fermi energy — •Christian R. Ast 1 , Daniela
Pacile 2 , Luca Moreschini 2 , Mihaela Falub 2 , Marco Papagno 2 ,
Klaus Kern 1,2 , Marco Grioni 2 , Jürgen Henk 3 , Arthur Ernst 3 ,
Sergey Ostanin 3 , and Patrick Bruno 3 — 1 MPI für Festkörperforschung,
Stuttgart, Germany — 2 EPFL, Lausanne, Switzerland —
3 MPI für Mikrostrukturphysik, Halle, Germany
In the Rashba-Bychkov-Model the strength of the spin-orbit splitting
— the Rashba energy ER — introduces a new energy scale influencing
the electronic structure and competing against other energy scales,
such as the Fermi energy EF . However, in most of the known systems
up to now the Rashba energy is a perturbative correction. We demonstrate
that it is possible to tune the Rashba energy and the Fermi
energy in a two-dimensional electron gas by a controlled change of the
stoichiometry of an artificial surface alloy. In the BixPb1−x/Ag(111)
surface alloy the spin-orbit interaction maintains a strong influence
on the band dispersion for arbitrary Bi concentration x, as is shown
by angle-resolved photoelectron spectroscopy. The Rashba energy ER
and the Fermi energy EF can be tuned to achieve values larger than
one for the ratio ER/EF , which opens up the possibility for observing
new phenomena, such as corrections to the Fermi liquid or a superconducting
state. Relativistic first-principles calculations explain the
experimental findings.
O 65.6 (48) Thu 13:15 MA 141
Temperature dependence of stick-slip friction on graphite —
•Lars Jansen 1,2 , Harald Fuchs 1,2 , and André Schirmeisen 1,2 —
1 Physikalisches Institut, Westfälische Wilhelms-Universität Münster,
Wilhlem-Klemm-Strasse 10, 48149 Münster — 2 CeNTech, Center for
NanoTechnology, Heisenbergstrasse 11, 48149 Münster
The so called stick-slip phenomenon, where the tip of an atomic force
microscope performs a saw-tooth like motion over a surface, is believed
to be a fundamental process in atomic friction, whose investigation has
become a huge challenge over the past years [1,2].
We measured atomic scale stick-slip friction on a graphite surface
with an atomic force microscope under ultrahigh vacuum conditions
in a temperature range from 100 K to 300 K.

In this talk, we show the results of our experiments concerning friction
vs. scan-speed curves for different temperatures. Furthermore we
compare our experimental results to the thermally activated Prandtl-
Tomlinson-model as described by Sang et al. [3]. This allows us the
direct evaluation of crucial parameters like the energy barrier and the
microscopic damping coefficient, which is often assumed to be in the
lower limit of aperiodic damping.
[1] Schirmeisen, Jansen, Fuchs, PRB 71, p. 245403 (2005)
[2] Evstigneev, Schirmeisen, Jansen, Fuchs, Reimann, PRL 97, p.
240601 (2006)
[3] Sang, Dubé, Grant, PRL 87, p. 174301 (2001)
O 65.7 (205) Thu 13:30 MA 141
Temperature dependence of the energy dissipation in dynamic
force microscopy — •Tino Roll, Tobias Kunstmann,
Markus Fendrich, Rolf Möller, and Marika Schleberger —
Universität Duisburg-Essen, Fachbereich Physik, Lotharstraße 1, D-
47048, Germany
Operating an atomic force microscope under UHV conditions can be
used to study energy loss processes. This can be achieved by measuring
the energy necessary to maintain the amplitude of the cantilever
(damping) at a given frequency shift. The dissipation of energy is
usually described in terms of an adhesion hysteresis mechanism. This
mechanism should become less efficient with increasing temperature.
To verify this prediction we have measured topography and dissipation
data with dynamic force microscopy in the temperature range from 100
K up to 300 K. We used 3,4,9,10-perylenetetracarboxylic-dianhydride
(PTCDA) grown on KBr(001). At room temperature, the energy dissipated
into the sample (or tip) is 2.5 eV/cycle for PTCDA and 1.5
eV/cycle for KBr, respectively, and is in good agreement with an adhesion
hysteresis mechanism. The energy dissipation over the PTCDA
surface decreases with increasing temperature yielding a negative temperature
coefficient. For the KBr substrate, we find the opposite behaviour:
anincrease of dissipated energy with increasing temperature.
While the negative temperature coefficient in case of PTCDA agrees
rather well with the adhesion hysteresis model, the positive slope found
for KBr points to a hitherto unknown dissipation mechanism.
O 65.8 (383) Thu 13:45 MA 141
The Surface state of Au(111) and characterization of the tunneling
tip in STM — •Berndt Koslowski, Anna Tschetschetkin,
Stefania C. Bobaru, and Paul Ziemann — Institut für Festkörperphysik,
Universität Ulm, D-89069 Ulm, Germany
Based on a recently developed method for recovering the electronic
density of states (DOS) from Scanning Tunneling Spectroscopy (STS)
data [1], we re-examine the well-known Shockley-like surface state (SS)
of Au(111) at 6.2K. To do so, we employ the 3D WKB approximation
for the special case of a 2-dimensional SS leading to an analytical solution
for the DOS recovery. The goal of this contribution is threefold:
firstly, we show why the SS does not show up as a step function in
STS. Secondly it will be demonstrated, how the SS can be exploited
to extract information about the tip DOS resulting in a *calibrated*
tunneling sensor. Thirdly, we discuss details of the tunneling spectra
such as the cross-over from 2D to 3D tunneling below the band edge
of the SS.
[1] B. Koslowski, Ch. Dietrich, A. Tschetschetkin, P. Ziemann,
Phys.Rev. B 75, 035421 (2007).
O 65.9 (584) Thu 14:00 MA 141
Dynamic superlubricity on insulating and conductive surfaces
— Enrico Gnecco 1 , •Pascal Steiner 1 , Anisoara Socoliuc 2 ,
Sabine Maier 3 , Thilo Glatzel 1 , Jonas Gessler 1 , Alexis
Baratoff 1 , and Ernst Meyer 1 — 1 Department of Physics, Klingelbergstr.
82, 4056 Basel, Switzerland — 2 Nanonis GmbH, Technopark-
O 66: Metallic Nanostructures I (on Metals)
Thursday
str. 1, 8005 Zürich, Switzerland — 3 Materials Science Division,
Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA
Friction between a sharp silicon tip and various atomically flat surfaces
(NaCl, KBr, graphite, mica) is minimised by piezo-induced oscillations
at well-defined resonance frequencies. This procedure extends
an electro-capacitive way to achieve the same effect, which was recently
introduced by our group and tested on insulating alkali halide
crystals in ultra-high vacuum [1]. A controlled reduction of friction is
observed now also on conductive surfaces like graphite, and in ambient
conditions, which is quite promising for technological applications to
micro-electromechanical devices. The theory previously used to interpret
’dynamic superlubricity’ under general conditions is supported by
new experimental observations showing that the contact between tip
and sample is well maintained when the oscillations are applied.
[1] A. Socoliuc et al., Science, Vol. 313, 207 (2006).
O 65.10 (678) Thu 14:15 MA 141
Space–Charge Effects in Photoelectron Spectroscopy at
FLASH — •Martin Marczynski-Bühlow, Matthias Kalläne,
Stefan Hellmann, Sabrina Lang, Claas Thede, Tim Riedel,
Sönke Harm, Kai Rossnagel, and Lutz Kipp — Institut für Experimentelle
und Angewandte Physik, Universität Kiel, D-24098
With its brilliant, ultrashort, and coherent photon pulses ranging from
the VUV to the soft X–ray regime FLASH (Free–Electron Laser in
Hamburg) offers the possibility to study a variety of ”new physics” with
novel as well as with traditional synchrotron radiation techniques. We
have determined general limits for photoelectron spectroscopy experiments
with these highly intense photon pulses with regard to radiation
damage, space–charge effects, and FLASH machine parameters. Here
we present angle–resolved as well as core–level photoelectron spectra
of the transition–metal dichalcogenide 1T–TaS2 in the Mott insulating
phase (T = 140 K). The photoelectron spectra were investigated
particularly with respect to the occurrence of space–charge effects as a
function of pulse intensity and compared with self-consistent N-body
simulations based on the Barnes & Hut Treecode Algorithm. The
measurements were carried out at the monochromator beamline PG2
of FLASH using the 3 rd FEL harmonic (hν = 115.5 eV).
This work is supported by the Innovationsfond des Landes Schleswig-
Holstein.
O 65.11 (697) Thu 14:30 MA 141
Commissioning of a dedicated Soft X-Ray energy dispersive
beamline for NEXAFS and other CFS/CIS studies —
•D. Batchelor 1 , Th. Schmidt 1 , R. Follath 2 , C. Jung 2 , R.
Fink 3 , A Schöll 1 , M. Knupfer 4 , B. Büchner 4 , and E. Umbach 1,5
— 1 Universität Würzburg, Experimentelle Physik II, Würzburg —
2 BESSY GmbH, Berlin — 3 Physikalische Chemie II, Universität
Erlangen-Nürnberg — 4 IFW Dresden — 5 Forschungszentrum, Karlsruhe
We have recently published a design for a dedicated Soft X-Ray
dispersive beamline (NIMA 575 (2007) 470-475) using photoelectron
spectroscopy. The new dispersive technique allows not only
NEXAFS without the time-consuming scanning of the photon energy
but also high resolution CFS/CIS spectroscopic studies such as
Auger/autoionization spectroscopy. The technique provides data with
much more accuracy and detail hitherto achieved by simply stepping
the photon energy. The method was originally tested using
a ”Pilot”setup which exploited extending the depth of focus of the
monochromator by limiting the beamline angular aperture. Although
very successful the decrease in angular beamline aperture obviously
had drawbacks in terms of signal and also mode of operation of the
monochromator (low Cff values). We will present commissioning results
from the upgraded monochromator demonstrating that the new
design overcomes most of these difficulties.
Time: Thursday 12:45–15:15 Location: MA 041
O 66.1 (123) Thu 12:45 MA 041
Photochemical tuning of plasmon resonances in gold nanostructures
— •Thomas Härtling 1 , Yury Alaverdyan 2 , Marc Tobias
Wenzel 1 , René Kullock 1 , Mikael Käll 2 , and Lukas M. Eng 1
— 1 Insitut für Angewandte Photophysik, TU Dresden, 01062 Dresden,
Germany — 2 Department of Applied Physics, Chalmers University of
Technology, SE-41296 Göteborg, Sweden
A photochemical method for the in-situ controlled tuning of size and
shape of individual gold nanostructures is presented. This novel nano-

optical fabrication technique combines the top-down approach of electron
beam lithography with the genuine bottom-up strategy of autocatalytic
nanoparticle growth to reach highest precision in nanoscale
structure manufacturing on the sub-10-nm length scale. The technique
is preeminently suitable for the fabrication of spectrally optimized
nano-optical antennas used for instance as SERS substrates or surfaceplasmon-based
biosensors. The fabrication method is demonstrated by
syntonizing the localized surface plasmon resonances of sub-wavelength
nanoparticles, i.e., single spheres, single and paired nanodiscs, as well
as ellipsoids. We show how a distinct red- or blueshifted surface plasmon
resonance can be achieved due to photochemical tuning of size
and shape of the particles.
O 66.2 (263) Thu 13:00 MA 041
Tunable Quantum Wires: New Horizons in Plasmonics
— •Dominic Zerulla 1 , Michael Berndt 2 , Stephanie Rehwald 3 ,
Stephan Schwieger 4 , and Erich Runge 4 — 1 UCD Dublin, School
of Physics, Dublin 4, Ireland — 2 MPI of Molecular Cell Biology and
Genetics, Dresden, Germany — 3 Heinrich-Heine-University Duesseldorf,
Germany — 4 TU Ilmenau, Theor. Physik I, Germany
Here we report on the excitation of surface plasmon polaritons (SPP’s)
on a periodical arrangement of quantum wires with tunable periodicity.
The ability to vary its two-dimensional lattice constant results in an
additional degree of freedom, permitting excitation of SPP’s for any
combination of wavelength and angle of incidence within the tuning
range of the system. Moreover it allows crucial questions on a fundamental
level to be answered by shedding light on the characteristic localization
properties of SPP’s. Planar waveguides and photonic crystal
structures are being intensively investigated as primary solutions for
integrated photonic devices. However, there may be an alternative approach
to the manufacturing of highly integrated optical devices with
structural elements smaller than the wavelength, which nevertheless
enables strong guidance and manipulation of light - the use of metallic
and metallodielectric nanostructures in conjunction with Surface
Plasmon Polaritons (SPP’s). Our novel design opens new vistas regarding
the tuneability of SPP localisation, propagation and coupling
efficiencies.
[1] S. Rehwald, M. Berndt, F. Katzenberg, S. Schwieger, E. Runge,
K. Schierbaum, D. Zerulla, Phys. Rev. B 76, 085420 (2007)
O 66.3 (283) Thu 13:15 MA 041
Tailoring Surface Plasmon Polariton Propagation via Specific
Symmetry Properties of Nanostructures — •Brian Ashall 1 ,
Michael Berndt 2 , and Dominic Zerulla 1 — 1 UCD Dublin, School
of Physics, Dublin 4, Ireland — 2 MPI of Molecular Cell Biology and
Genetics, Dresden, Germany
SPs are electromagnetic surface waves propagating along the interface
of two materials with dielectric functions of opposite sign. They are
essentially light waves that are trapped on the surface as a result of
interactions between the illuminating wave and the free electrons of
the conductor, and are called Surface Plasmon Polaritons (SPPs) to
reflect this hybrid nature. Recent advances in fabrication technologies
have created new opportunities to control SPP properties to reveal
new aspects of their underlying science, and to tailor them for specific
applications. We report on an experimental investigation on SPP propagation
and interaction on 2D arrays of differing symmetry properties.
Providing the required symmetry variations, and forming the basis of
the arrays, are tailor designed nanostructures. The symmetry properties
of the nanostructures have a definite impact on the SPP propagation
direction on the surface. In particular, it is demonstrated how
in certain orientations our rotor nanostructures have interesting waveguiding
interactions with propagating SPPs, and polarization twisting
effect on the SPP re-radiated light.
[2] B. Ashall, M. Berndt, D. Zerulla; Appl. Phys. Lett. 91, 203109
(2007)
O 66.4 (477) Thu 13:30 MA 041
Influence of arrays of nanodiscs on surface plasmon propagation
— •Stefan Griesing, Andreas Englisch, and Uwe Hartmann
— Saarland University, Experimental Physics Department, P.O.Box
151150, D-66041 Saarbruecken
Arrays of discs were produced by means of electron-beam lithography
(EBL) on top of a 40nm thick silver layer. The discs with a diameter of
250nm were realized in two different ways: On the one hand as 30nm
thick gold structures produced by a lift-off process, on the other hand
as polymer structures with a thickness of 130nm by using a directwriting
process. The distance between the discs varies between 1.5
Thursday
microns and 300nm. A plasmon beam was excited by a focused laser
beam of 673nm wavelength passing through the Kretschmann configuration.
The plasmon beam with a half-width of 5 microns propagates
from the excitation spot to the nanostructures. The influence on
the propagation behavior in dependence on the period is studied by
scanning near-field microscopy for normal and oblique incidence. The
results are compared with finite elements calculations.
O 66.5 (165) Thu 13:45 MA 041
Optical Properties of Metal Nanorod Arrays — •René
Kullock 1 , Paul R. Evans 2 , Robert J. Pollard 2 , and Lukas M.
Eng 1 — 1 Institut für Angewandte Photophysik, TU Dresden, 01062
Dresden, Germany — 2 Centre for Nanostructured Media, IRCEP, The
Queens University of Belfast, Belfast BT7 1NN, UK
Single gold or silver nanorods strongly interact with visible light due
to surface plasmon resonances (SPRs) [1]. By periodically arranging
multiple nanorods, these SPRs can be easily tuned [2], hence allowing
such structures to be used either for manipulating optical light
transmission or generating high optical near-field strengths.
Here, we report on the optical near- and far-field properties of such
gold and silver nanorod arrays with individual rods of 300 nm length
and 20 nm width beeing arranged with a 60 nm periodicity. Using
the semi-analytical method of multiple-multipoles, we study the electromagnetic
near-field distribution of the SPRs, which are completely
changed compared to the single nanorod case, and strongly depend on
the geometry of our structures. Hence, we are able to identify various
modes having different energies and shapes [3]. Furthermore, we are
also interested on the far-field properties of the structure, and therefore
investigate the influence of the structure on light transmission
both theoretically and expmerimentally. Finally, applications of these
near- and far-field effects in such structures are discussed.
[1] S. Link et al., J. Phys. Chem. B 103, 3073 (1999).
[2] R. Atkinson et al., Phys. Rev. B 73, 235402 (2006).
[3] P. Evans et al., submitted.
O 66.6 (265) Thu 14:00 MA 041
fabrication of ordered cluster arrays on pre-structured surfaces
— •Jian Zhang 1 , Violetta Sessi 1 , Jan Honolka 1 , Axel
Enders 1,2 , and Klaus Kern 1 — 1 Max-Planck-Institut für Festkörperforschung,
Heisenbergstrasse 1, 70569 Stuttgart, Germany — 2 Dept.
of Physics and Astronomy, University of Nebraska, Lincoln NE 68588,
USA
We will present results on the fabrication of ordered cluster arrays on
structured surfaces. Fe and Co clusters of less than 3 nanometer diameter
were prepared by buffer layer assisted growth1 (BLAG). The
advantage of this method is that the clusters are formed before they
make contact with the substrate. Thus, their initial structure is not
affected by the substrate. While the resulting clusters are randomly
distributed on flat crystalline surfaces, we find that cluster ordering
can be promoted with pre-structured surfaces. Two examples will be
discussed. On stepped a Pt(997) surface the clusters are arranged
along the steps after landing, resulting in linear chains of clusters.
Hexagonally arrays of isolated clusters can be achieved on a periodically
corrugated boron-nitride nanomesh template. Here, the clusters
preferentially occupy the pores in the BN layer. High nanomesh filling
is achieved by repeated cluster deposition cycles. However, the maximum
nanomesh filling is still limited by the cluster diffusion on the
nanomesh, as will be discussed.
O 66.7 (215) Thu 14:15 MA 041
Role of surface roughness in superhydrophobicity — •Chunyan
Yang, Ugo Tartaglino, and Bo Persson — IFF, FZ-Juelich, 52425,
Germany
Superhydrophobic surfaces, with liquid contact angle theta greater
than 150 degree, have important practical applications ranging from
self-cleaning window glasses, paints, and fabrics to low-friction surfaces.
Many biological surfaces, such as the lotus leaf, have hierarchically
structured surface roughness which is optimized for superhydrophobicity
through natural selection. Here we present a molecular
dynamics study of liquid nanodroplets in contact with self-affine fractal
surfaces. Our results indicate that the contact angle for nanodroplets
depends strongly on the root-mean-square surface roughness amplitude
but is nearly independent of the fractal dimension of the surface[1,2].
References: [1] C. Yang, U. Tartaglino and B.N.J. Persson, Phys.
Rev. Lett. 97, 116103 (2006) [2] C. Yang, U. Tartaglino and B.N.J.
Persson, arXiv:0710.3264

O 66.8 (329) Thu 14:30 MA 041
Strain induced micro-island formation on Ni/Ru(0001)
monolayers — Kai Anhut and •Peter Jakob — Fachbereich Physik
und Wissenschaftliches Zentrum für Materialwissenschaften, Philipps-
Universität Marburg, D-35032 Marburg, Germany
Morphological changes of Ni monolayers on Ru(0001) induced by oxygen
adsorption have been investigated using scanning tunneling microscopy.
Specifically, the creation of well defined and uniform Ni
micro-islands consisting of 3, 6 or 9 Ni atoms is reported and their
geometrical structure, as well as their coordination with respect to the
substrate lattice determined. The island formation is directly linked
to a phase transition of the pseudomorphic Ni layer (lattice constant
∆d = dRu−Ru = 2.706 ˚A) into a densified, moiré-distorted phase (lattice
constant ∆d = dNi−Ni= 2.492 ˚A) as Ni areas grow to lateral sizes
beyond about 200 ˚A. An increasing lateral stress within such densified
Ni monolayers induced by the adsorption of oxygen is held responsible
for the expulsion of Ni clusters from the monolayer film. The microislands
represent unusually stable units (with respect to recombination
of neighboring islands) which is tentatively attributed to oxygen atoms
attached to the trimers and hexagons.
O 66.9 (116) Thu 14:45 MA 041
Adsorbate-Induced Faceting of Ir and Re Surfaces — •Payam
Kaghazchi, Timo Jacob, and Matthias Scheffler — Fritz-Haber-
Institut der MPG, Faradayweg 4-6, D-14195 Berlin
Since high-index clean metal surfaces typically have lower surface atom
densities and higher surface free energies compared to the close-packed
surfaces of the same metal they can be used as the basis for surface
reconstruction and facet formation experiments. In this context the
group of T.E. Madey at Rutgers University found recently that on
Ir(210) and Re(11¯21) surfaces strongly interacting adsorbates are able
to induce the formation of well defined nanostructures after annealing
the system at elevated temperatures.
Thursday
Using density functional theory calculations with the PBE functional
and ab initio atomistic thermodynamics we studied the adsorption of
oxygen and nitrogen on the different surface orientations, which are
involved in the nanostructures on Ir(210) and Re(11¯21). Constructing
the corresponding (p, T )-surface phase diagrams, we find that at
experimental pressure conditions (pO2 = 5 · 10−10 atm) above 1100 K
for Ir and above 1200 K for Re the planar surfaces are stable, while
lowering the temperature stabilizes the nanofacets found experimentally.
While on Ir(210) most nanoscale pyramids consist of smooth
and unreconstructed planes, some (110) faces show a stepped doublemissing
row superstructure, which is only stable at higher temperatures
(1000 K< T

Bonn University — 2 Institute of Material Research, Technical University
of Darmstadt
Copper has become a focus of research activities over the last two
decades due to its use as interconnect material in microchip design.
Presently the dimensions of circuit layout is dependent on the wavelength
of the applied light. To continue the ongoing process of miniaturization,
cationic organic molecules have been studied as additives
in the copper damascene process. In the present investigation the influence
of various halides on structure and reactivity of a Diphenylviologen
(DPV) layer adsorbed on a Cu(100) surface have been studied
by in-situ electrochemical STM and high-resolution XPS, conducted
at the synchrotron source BESSY2.
N,N’-diphenyl-4,4’-bipyridinium (Diphenylviologen, DPV) spontaneously
adsorbs on a halide-modified Cu(100)-surface, forming a
striped pattern , which has been characterized by in-situ Scanning
Tunneling Microscopy. Cyclic Voltammetry indicates that the building
block is the radical cation of the viologen. These result have been
confirmed by ex-situ high resolution XPS after transfer into UHV in
a process allowing conservation of the surface redox-states upon emersion.
A careful analysis of the N1s and C1s core level shifts then allows
the determination of the redox-state of the adsorbed viologens.
O 68.4 (69) Thu 14:00 MA 043
Electrochemical Faceting of Ir(210) — Payam Kaghazchi 1 ,
Khaled A. Soliman 2 , Felice C. Simeone 2 , Ludwig A. Kibler 2 , and
•Timo Jacob 1,2 — 1 Fritz-Haber-Institut der MPG, D-14195 Berlin —
2 Institut für Elektrochemie, Universität Ulm, D-89081 Ulm
Highly-disperse nanoparticles are often used to catalyze (electro)chemical
reactions. Unfortunately not all nanoparticles have the same
size and shape, but rather show a relatively large distribution, limiting
our understanding of the ongoing processes.
Focusing on Ir(210), which experimentally was found to form
pyramidal-like nano-facets in presence of oxygen [1], we used density
functional theory and the extended ab initio atomistic thermodynamics
approach [2] to study the adsorption of oxygen on these surfaces
being involved in the nanostructures on Ir(210). Constructing the corresponding
(p,T ,φ)-phase diagram for Ir(210) in contact with an aqueous
electrolyte, we found that the same nano-facets should be stable
under electrochemical conditions. Recently we were able to confirm
this theoretical prediction by cyclic voltammetry and in-situ scanning
tunneling microscopy. The presence of nanofacets for Ir(210) gives rise
to a characteristic current-peak in the hydrogen adsorption region for
sulfuric acid solution. Regarding the electrocatalytic behavior of the
nano-facets we found a considerably lower activity compared to planar
Thursday
Ir(210).
[1] I. Ermanoski, C. Kim, S. P. Kelty, T. E. Madey, Surf. Sci. 2005,
596, 89.
[2] T. Jacob, J. Electroanal. Chem., 607, 158–166 (2007).
O 68.5 (315) Thu 14:15 MA 043
A new approach to obtain electrochemical E/pH diagrams derived
from the viewpoint of semiconductor defects — •Mira
Todorova and Jörg Neugebauer — Max-Planck Institut für Eisenforshung,
Düsseldorf
We present a novel approach for obtaining Pourbaix diagrams, which
depict possible thermodynamically stable phases of an aqueous electrochemical
system under given environmental conditions as a function
of potential and pH. Such diagrams play a crucial role in corrosion
science and various areas of chemistry.
Being similar to the approach used in defect chemistry [1] the new
method is safely based on the formation energy of ions in the host matrix.
Within the new approach the electrode potential and the pH-scale
can be easily understood. We obtain an astonishingly good agreement
with the standard electrochemical potential series. The construction
of E/pH diagrams for any given environmental conditions and without
a priory assumptions about ion concentrations is possible and will be
demonstrated by the example of zinc and iron.
[1] C.G. Van de Walle and J. Neugebauer, J. Appl. Phys. 95, 3851
(2004).
O 68.6 (178) Thu 14:30 MA 043
A Quantum Chemistry Roadmap Towards Highly Accurate
Adsorption Energies at Ionic Surfaces — •Bo Li 1 , Angelos
Michaelides 1,2 , and Matthias Scheffler 1 — 1 Fritz-Haber-Institut
der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany
— 2 Materials Simulation Laboratory, London Centre for Nanotechnology
and Department of Chemistry, University College London, London
WC1E 6BT, U.K.
A roadmap is established to compute adsorption energies of molecules
at ionic surfaces with an accuracy approaching chemical accuracy (a
precision of 1 kcal/mol or ∼43 meV). The approach relies on established
quantum chemistry methodologies and involves a separation of
the total adsorption energy into contributions from Hartree-Fock and
electron correlation, the use of embedded cluster models of the substrate,
and extrapolations to the complete basis set limit. Application
of the procedure to the example of water on salt, with electron correlation
treated at the CCSD(T) level, yields an adsorption energy for a
water monomer on NaCl(001) of 480 ± 20 meV.
O 69: Symposium: Size-Selected Clusters at Surfaces III
Time: Thursday 14:00–15:00 Location: MA 042
O 69.1 (217) Thu 14:00 MA 042
Size-dependent structure and bonding of Ir clusters on
Graphene / Ir(111) — •Carsten Busse 1 , Alpha T. N’Diaye 1 ,
Johann Coraux 1 , Peter J. Feibelman 2 , and Thomas Michely 1 —
1 II. Physikalisches Institut, Universität zu Köln, Germany — 2 Sandia
National Laboratories, Albuquerque, USA
Small Ir clusters are grown by deposition of Ir onto a graphene moiré
on Ir(111) and analyzed using scanning tunneling microscopy (STM).
The clusters are arranged in a hexagonal lattice with perfect ordering
and exhibit a narrow, tunable size distribution.
The apparent cluster height for monolayer clusters shows a pronounced
increase with cluster size from 1.8 ˚A for trimers to 2.5 ˚A for
11-clusters. Density functional theory (DFT) calculations rule out a
geometric explanation of this effect, so we attribute it to differences in
electronic structure. The majority of clusters are stable and immobile
at room temperature, but for certain cluster sizes we observe a jiggling
motion (trimer to heptamer) or rapid shape changes (tetramer).
For the experimentally observed binding sites of the clusters within
the moiré unit cell, DFT reveals that the bonding of the clusters to
the substrate induces a rehybridization of the C directly underneath
the particles. The bonding changes from a graphene-like (sp 2 ) into a
diamond-like (sp 3 ) arrangement, thus explaining the strong binding of
the clusters to the substrate.
Work supported in part by the DOE Office of Basic Energy Sciences,
Div. of Mat. Sci. and Eng. Sandia is operated by the Lockheed Martin
Co. for the U.S. DOE’s NNSA, under contract DE-AC04-94AL85000.
O 69.2 (457) Thu 14:15 MA 042
Density functional modeling of supported clusters: on the
road to an understanding of nanoscale catalysis — •Michael
Moseler 1,2 and Bernd Huber 2 — 1 Fraunhofer Institute for Mechanics
of Materials IWM, Wöhlerstr. 11, 79108 Freiburg — 2 Freiburg
Materials Research Center, Stefan-Meier-Str. 21, 79104 Freiburg
Understanding and predicting heterogeneous catalysis remains one
of the main motivations underlying the science of supported nanocluster.
Surface science experiments provide important insights into
nano-particles catalysed reactions [1]. Often however, this progress is
only achieved in combination with quantum-chemical atomistic simulations.
Here we show how density functional theory can be used
to understand experimental size evolutionary patterns in the activity
of metal-oxide supported Pd clusters [2,3]. We provide theoretical
as well as experimental evidence that the reaction of supported Pd
clusters with molecular oxygen results in the formation of nano-oxides
which are in epitaxy with the ceramic support. These oxides serve as
a Mars-van-Krevelen oxygen reservoir and therefore play an important
role in the catalyzed combustion of carbon monoxide.
[1] U.Heiz, E.L.Bullock, Mater. Chem. 14, 564 (2004)
[2] B.Huber, P.Koskinen, H.Häkkinen, M.Moseler, Nature Materials
5, 44 (2006)
[3] B.Huber, M.Moseler, Eur. Phys. J. D online-First (2007)

O 69.3 (480) Thu 14:30 MA 042
X-ray photoelectron spectroscopy on deposited nobel metal
clusters — •Matthias Neeb, Baris Balkaya, Nicoletta Ferretti,
and Wolfgang Eberhardt — BESSY, Albert-Einstein Str. 15, 12489
Berlin
Noble metal clusters (Cu, Ag, Au) were produced in a magnetron
sputter source and mass-selected by a magnetic sector field prior to
soft-landing on a p-doped Si-wafer. XPS, XANES, UPS and Auger
spectra of the supported metal clusters at a surface coverage of ∼ 1
% have been measured with soft X-ray synchrotron radiation. The
cluster spectra are compared with the respective bulk spectra of an
evaporated metal film. In general, the core binding energies of the
clusters vary with size and are blue shifted with respect to the bulk
value. Similarly, the L3 absorption edge of Cu-clusters up to 70 atoms
is blue shifted with respect to Cu-bulk. For larger Cu-clusters (≥ 13) a
multiple-scattering NEXAFS-feature is detected behind the L3 absorption
edge, indicating an icosahedral structure. The Auger energy of
the clusters shows a red shift with respect to the bulk value. Moreover,
the kinetic energy of the Auger electron is influenced by post-collison
interaction (PCI) and varies with cluster size.
O 69.4 (674) Thu 14:45 MA 042
Electrospray Ion Beam Deposition of Nonvolatile Molecules
and Nanoparticles in High- and Ultrahigh Vacuum —
Thursday
•Stephan Rauschenbach, Thomas Weitz, Alicia Forment, Jens
Boettcher, Giovanni Costantini, Nicola Malinowski, and Klaus
Kern — Max-Planck-Institute for Solid State Research, Stuttgart,
Germany
Electrospray Ionization is a soft ionization technique with which nonvolatile
molecules or nanoparticles from a solution can be transferred
into the gas phase. Based on this technique we developed a novel vacuum
deposition apparatus, which is capable to transfer these ions into
high- or ultrahigh vacuum, mass select them and deposited them on
a surface [S.Rauschenbach et. al., Small 4 (2006)]. Destruction free
deposition (soft landing) can be achieved, since the kinetic energy of
the ions can be controlled. An UHV-STM/AFM is connected to the
system for in-situ analysis.
The capability to deposit the large organic molecules, clusters and
nanoparticles is demonstrated with a variety of systems. Soft landing
of molecules is proven by fluorescence spectroscopy and TOF-SIMS
identification of deposited dye molecules. Au-nanoparticles (5 - 20
nm) and carbon nanotubes deposited from ion beams were found intact
on the surface identified by atomic force microscopy (AFM). CdS
nanorods (30 nm diameter) and V2O5 nanowires (5 nm diameter) observed
in AFM after deposition are identified by TOF-SIMS. Estimations
of the charge state and the mass-to-charge-ratio show that the
nanoparticle ion beams mainly consist of very highly charged particles.
O 70: SYMS: Modern Developments in Multiphysics Materials Simulations I (Invited Speakers:
David Pettifor, Alessandro De Vita, Chris Wolverton, Ingo Steinbach, Walter Thiel, Karsten
Reuter; FV: O+HL+MM)
Time: Thursday 14:00–17:00 Location: A 151
See SYMS for details about the program.
O 71: SYEC: Exact-Exchange and Hybrid Functionals Meet Quasiparticle Energy Calculations II
(FV: O+HL+DF+TT)
Time: Thursday 14:00–17:00 Location: A 053
See SYEC for details about the program.
O 72: Symposium: Beyond Optical Wavelengths: Time-Resolved Spectroscopy of Surface
Dynamics with EUV and XUV Radiation II (Invited Speakers: Wilfried Wurth, Hermann Dürr,
Shik Shin)
Time: Thursday 14:00–17:00 Location: HE 101
O 72.1 (698) Thu 14:00 HE 101
First Experiments at FLASH and the Core-Hole Clock —
•Wilfried Wurth — Institut für Experimentalphysik, Universität
Hamburg, Luruper Chaussee 149
Time-resolved soft x-ray spectroscopy has the potential to provide
unique element specific and chemical state selective information on
the complex wave packet evolution at surfaces and interfaces.
With the core-hole-clock method this potential has been utilized
to determine ultrafast electron delocalization at specific atomic sites.
However, here, dynamic information is only accessible in the time range
given by the fixed decay time of core-excited states. In order to really
follow the temporal evolution at selected atomic sites, we have
to develop atom specific and chemically selective X-ray spectroscopy
further towards a femtosecond time resolving technique.
With the Free-Electron Laser in Hamburg (FLASH) at DESY a
unique source for femtosecond XUV-pulses with unprecedented brillance
is operational since 2005. In the talk I will present some ideas
how femtosecond X-ray pulses from Free Electron Lasers can be used to
study surface and interface dynamics. First time-resolved experiments
from FLASH will be presented and implications for future experiments
will be discussed.
This work is supported by the BMBF in the framework of the
Forschungschwerpunkt 301 FLASH: Matter in the light of ultrafast
and extremely intense X-ray pulses.
O 72.2 (610) Thu 14:30 HE 101
Excitation of electrons in Silicon with an ultrashort XUV
free electron laser pulse: a Monte-Carlo study — •Nikita
Medvedev and Baerbel Rethfeld — Technische Universitaet
Kaiserslautern, 67653, Germany
The new light source FLASH at DESY in Hamburg provides ultrashort
high intensity XUV pulses. We study the interaction of this new kind
of irradiation with condensed matter theoretically. In this contribution
we present first simulations, applying Classical Trajectory Monte Carlo
simulation (CTMC) to describe the dynamics of electronic excitation
and ionization within a solid silicon target, irradiated with femtosecond
XUV laser pulse (25 fs, �ω = 38 eV). The CTMC-method was extended
to take into account the electronic band structure and Pauli’s principle
for electrons excited into the conduction band. Secondary excitation
and ionization processes were included as well. We calculate the temporal
distribution of the density of exited and ionized electrons, the
energy of these electrons and the energy distribution function. The
influence of the band structure on the redistribution of free electrons
on subpicosecond time-scale is studied. It is demonstrated that the
final kinetic energy of free electrons is much less than the total energy
provided by the laser pulse, because some part of energy is spended to
overcome ionization potentials and is kept by holes. It was found that
the total number of free electrons is significantly less than estimated
by ne = �ω/Egap. We introduce the concept of an ”effective band

gap”, which can be applied to estimate the free electron density for
collective electronic excitation with a high-intensity XUV laser pulse.
O 72.3 (675) Thu 14:45 HE 101
Single-shot femtosecond EUV-pump/visible-probe crosscorrelation
on GaAs — •Theophilos Maltezopoulos 1 , Stefan
Cunovic 2 , Marek Wieland 3 , Martin Beye 3 , Armin Azima 1 ,
Harald Redlin 1 , Maria Krikunova 3 , Roland Kalms 3 , Ulrike
Fruehling 1 , Filip Budzyn 3 , Wilfried Wurth 3 , Alexander
Foehlisch 3 , and Markus Drescher 3 — 1 HASYLAB at DESY,
Notkestrasse 85, 22607 Hamburg, Germany — 2 Department of
Physics, Bielefeld University, Universitaetsstrasse 25, 33615 Bielefeld,
Germany — 3 Institut fuer Experimentalphysik, University of Hamburg,
Luruper Chaussee 149, 22761 Hamburg, Germany
The Free Electron Laser in Hamburg (FLASH) is currently the most intense
femtosecond light source in the extreme-ultraviolet (EUV) range,
which facilitates efficient pumping of inner shells in solid targets. For
pump-probe experiments, a synchronized optical fs laser system is
available at the facility. In our set-up, the EUV pulse (wavelength
28 nm, pulse length 20-30 fs) and the visible pulse (400 nm, 130 fs) are
non-collinearly overlapped in space and time on the surface of a GaAs
crystal. Along its path, the EUV pump pulse changes the reflectivity
of the GaAs sample for the visible probe pulse, the latter being imaged
onto a CCD array. The spatial position of the reflectivity change
captures the dynamics of the process in a single exposure. The technique
can be utilized to determine individual EUV-visible delays with
a precision of about 40 fs.
15 min. break
O 72.4 (618) Thu 15:15 HE 101
Ultrafast Magnetization Dynamics Probed by Femtosecond
X-Ray Spectroscopy — •Hermann A. Dürr — BESSY GmbH,
Albert-Einstein-Str. 15, 12489 Berlin, Germany.
When the electronic system of a solid is rapidly heated by absorbing
a femtosecond optical laser pulse it takes time to re-establish thermal
equilibrium. This timescale is ultimately determined by energy transfer
from the electronic system to the lattice. For ferromagnets this
process can also lead to an ultrafast quenching of the ferromagnetic
order. Angular momentum conservation dictates that an exchange of
spin angular momentum with a reservoir such as the lattice should occur.
So far real time studies of these processes were limited to the use
of femtosecond laser pump-probe spectroscopy [1]. We show that an
efficient novel channel for angular momentum dissipation to the lattice
can be opened by fs laser excitation of a ferromagnet [2]. The quenching
of spin angular momentum and its transfer to the lattice with a
time constant of 120 fs is determined unambiguously with x-ray magnetic
circular dichroism by separating spin and orbital contributions
to the magnetization. Fs time-resolved x-ray absorption spectroscopy
shows an unexpected increase in valence electron localization during
the first 120 fs possibly providing the driving force behind fs spin-lattice
relaxation.
[1] E. Beaurepaire, et al., Phys. Rev. Lett. 76, 4250 (1996).
[2] C. Stamm, et al., Nature Materials 6, 740 (2007).
O 72.5 (396) Thu 15:45 HE 101
Non-equilibrium spin-dynamics of Gd(0001) studied by magnetic
linear dichroism in 4f core-level photoemission —
•Alexey Melnikov 1 , Helena Prima-Garcia 2 , Martin Lisowski 1 ,
Tanja Gießel 2 , Ramona Weber 2 , Roland Schmidt 2 , Cornelius
Gahl 2 , Nadezhda Bulgakova 3 , Uwe Bovensiepen 1 , and Martin
Weinelt 1,2 — 1 Freie Universität Berlin, Fachb. Physik, Arnimallee
14, 14195 Berlin, Germany — 2 Max-Born-Institut, Max-Born-Straße
2 A, 12489 Berlin, Germany — 3 Institute of Thermophysics SB RAS,
pr. Lavrentiev 1, 630090 Novosibirsk, Russia
The magnetic linear dichroism of the Gd 4f core-level is studied in a
time-resolved photoemission (PE) experiment at BESSY II employing
1.55eV, 100fs laser pump and 60eV, 50ps synchrotron-radiation
probe-pulses. We define the dichroic contrast ∆M(T ) at temperature
T averaging the difference of PE spectra for opposite magnetization
direction. ∆M(T ) follows the spontaneous magnetization, vanishes at
the Curie temperature TC, and can therefore be used to map the order
of the 4f spin-system. The latter is reduced upon optical excitation
of the 5d6s valence electrons. Remarkably, ∆M(T ) remains at 80% of
Thursday
the equilibrium value while the lattice temperature increases up to TC.
A simulation of ∆M(T (τ)) by a quasi-equilibrium model predicts an
at least two times larger reduction of ∆M(T ) for delays τ below 100
ps. We conclude that at these early times equilibration between lattice
and 4f spin subsystems has not been established. This reveals principal
differences to the spin dynamics in itinerant ferromagnets, where the
valence electrons excited by the laser also carry the magnetic moment.
O 72.6 (113) Thu 16:00 HE 101
Sub-meV-resolution photoemission spectrocopy on solids using
VUV laser — •shik shin — Institute for Solid State Physics,
Chiba277-8581, Japan
We developed the ultrahigh-resolution photoemission system using
quasi-CW VUV laser. VUV laser, photoemission analyzer, and cooling
system were newly developed for ultrahigh resolution photoemission.
The total resolution of the Laser-PES system is estimated to be about
0.15 eV by using the gold Fermi edge at 1.8 K at present. This is the
highest resolution of the world. We will present the angle-integrated
and angle-resolved photoemission results on several superconducting
materials as well as the heavy Fermion materials. We will also shows
the high resolution PES on surface states of Ag.
O 72.7 (259) Thu 16:30 HE 101
Femtosecond time- and angle-resolved photoelectron spectroscopy:
A tool to study non-equilibrium states of electronic
structure — •Uwe Bovensiepen — Freie Universität Berlin, Fachbereich
Physik, Arnimallee 14, 14195 Berlin
During the last 20 years angle-resolved photoemission spectroscopy has
turned from an established surface science technique to a powerful experimental
system that maps the electronic structure of valence bands
in solids. Intense optical excitation by femtosecond laser pulses drives
this electronic subsystem in condensed matter into a non-equilibrium
state and its energy content is characterized by electronic temperatures
of several thousand Kelvin. The ion-ion interaction is determined
by the screened electron-ion potential and the intense optical excitation
can be expected to modify the screening contribution. We excite
metallic structures by 1.5 eV laser pulse at absorbed fluences of 0.1
– 1 mJ/cm 2 and probe the transient state of the electronic structure
by 6 eV UV laser pulses in time- and angle-resolved photoemission.
For the 5d z 2 surface state of Gd(0001) and for the highest occupied
quantum well state originating from the 6pz band in epitaxial Pb films
on Si(111) we observe a transient binding energy increase by 50 – 100
meV before electron-phonon scattering has lowered the excess energy
in the electronic subsystem. Thus, we conclude that the optical excitation
leads to a stabilization of both these systems. First experiments
on RTe3 charge density wave materials show that under comparable
conditions even a transition from an insulating to a metallic state can
be induced optically.
O 72.8 (286) Thu 16:45 HE 101
Ultrafast charge transfer at silicon surfaces investigated by
the core hole clock method: Band structure influences — Silvano
Lizzit 1 , Guillermo Zampieri 1,2 , Luca Petaccia 1 , Rosanna
Larciprete 1,3 , Krassimir L. Kostov 4 , Georgi Tyuliev 5 , and
•Dietrich Menzel 6,7 — 1 Sincrotrone Trieste, Area Science Park,
34012 Trieste, Italy — 2 Centro Atómico Bariloche, 8400 S.C. de Bariloche,
Argentina — 3 CNR-Istituto dei Sistemi Complessi, 00016 Monterotondo
(RM), Italy — 4 Institute of General and Inorganic Chemistry,
Bulgarian Academy of Sciences, Sofia, Bulgaria — 5 Institute of
Catalysis, Bulgarian Academy of Sciences, Sofia, Bulgaria — 6 Physik-
Dept.E20, TU Muenchen, 85748 Garching, Germany — 7 Fritz-Haber-
Institut der MPG, Faradayweg 4-6, 14195 Berlin, Germany
With the well-known core hole clock method to measure charge transfer
(CT) at surfaces by resonant core excitation and decay under resonant
Auger Raman conditions (bandwidth of exciting photons below
the lifetime width) the lifetimes of 4s electrons on core-excited Ar adsorbed
on clean and H-covered n- and p-Si(100) have been determined.
CT times are in the range of 1 to 4 fs. They do not depend on doping
and are about twice larger on H-covered than on clean Si. Distinct
structure is found as a function of excitation energy, similarly on both
surfaces. It is explained by the influence of the empty band structure
of Si(100), into which the excited 4s electron is transferred. The concepts
and mechanisms will be discussed. Time allowing, the relation
of this method to laser pump-probe techniques will be discussed.

Thursday
O 73: Symposium: Bimetallic Nanosystems: Tuning Physical and Chemical Properties II (Invited
Speakers: André Fielicke, Thomas Risse, Jürgen Behm)
Time: Thursday 14:00–17:30 Location: MA 005
O 73.1 (239) Thu 14:00 MA 005
Doped clusters in light of an IR-FEL — •André Fielicke 1 ,
Philipp Gruene 1 , Gerard Meijer 1 , Ewald Janssens 2 , Vu Thi
Ngan 2 , Minh Tho Nguyen 2 , and Peter Lievens 2 — 1 Fritz-Haber-
Institut der MPG, Berlin — 2 University of Leuven, Belgium
Changing the composition of a metal cluster naturally will alter its
physical and chemical properties; however, often these changes are not
gradual but lead to very different and unexpected behavior. In the
last years several of such mixed cluster systems have been predicted
by theory and also identified in experiments to exhibit unusual stabilities.
In many cases this stabilization is supposed to be related to
the formation of structures that are stabilized by both, electronic and
geometrical effects. We focus on the determination of the geometrical
structure of such isolated clusters in the gas-phase via vibrational spectroscopy.
Cluster complexed with weakly bound ligands, i.e. rare gas
atoms, are irradiated with intense and tunable far-IR radiation from
the Free Electron Laser for Infrared eXperiments FELIX. Absorption
leads to a heating of the cluster and subsequent evaporation of the
ligand. This process is observed via mass spectrometry that allows determining
the clusters far-IR spectra size and composition selectively.
The influence of doping on the structural properties will be exemplified
for silicon and gold clusters doped with transition metal atoms.
O 73.2 (175) Thu 14:30 MA 005
Molecular adsorption on bimetallic particles supported on
well defined oxide surfaces — •Thomas Risse — Fritz-Haber-
Institut der MPG, Faradayweg 4-6, 14195 Berlin, Germany
The admixture of a second metal has proven to be a suitable method
to tune the desired properties of solid-supported metal particles. This
presentation will focus on the adsorption properties of molecules on
nanometer-sized bimetallic particles deposited on single crystalline oxide
films. Such systems can serve as model systems for heterogeneous
catalysts, which allow investigations with the rigor of modern surface
science while grasping essential aspects of the complexity of real catalytic
systems. The adsorption properties of molecules on bimetallic
particles depend on a variety of parameters such as elemental and surface
composition, particle size, or metal substrate interaction. Co/Pd
and Fe/Pd particles grown by physical vapor deposition on a well defined
alumina film will be used as model systems to explore the dependence
of the adsorption properties on the abovementioned parameters.
The experiments take advantage of the nucleation properties of the
different metals which allow -by appropriate deposition conditionsto
tune the particle’s surface composition, shape, or degree of crystallinity.
To allow for a microscopic analysis of the observed effects, investigations
of the adsorption properties will be amended by structural
characterization of the systems. Furthermore experiments on simple
reactions such as reaction of the systems with oxygen or methanol decomposition
will be discussed with respect to their susceptibility to the
admixture of a second metal component.
O 73.3 (573) Thu 15:00 MA 005
Bimetallic Catalysis - Fundamental effects studied on well defined
model systems — •R. Jürgen Behm — Institute of Surface
Chemistry and Catalysis, Ulm University, D-89069 Ulm
Bimetallic catalysts are well known to often exhibit a significantly
better performance, in activity and/or selectivity, than the respective
components [1]. Based on catalytic measurements using catalysts with
varying composition, different electronic and geometric effects were introduced
to explain there observations [2]. Direct proof, however, was
hardly possible because of the mostly unknown surface composition
of the catalyst particles. Adsorption and reaction studies on bimetallic
surfaces with well-defined, varied distribution of surface atoms, as
identified, e.g., by high resolution scanning tunneling microscopy with
chemical contrast, allow for the first time to directly identify and separate
these effects [3]. Furthermore, they provide a solid basis for comparison
with theory [3]. The potential of combined experimental and
theoretical studies is demonstrated using different adsorption/reaction
systems as example.
1. J.H. Sinfelt, Surf. Sci. 500 (2002) 923.
2. W.M.H. Sachtler, in Handbook of Heterogeneous Catalysis, G.
Ertl, H. Knözinger, and J. Weitkamp, Eds. (VCH-Wiley, Weinheim,
1997), Vol. 3.
3. M. Ruff, N. Takehiro, P. Liu, J.K. Norskov, R.J. Behm, Chem.
Phys. Chem. 8 (2007) 2068.
O 73.4 (664) Thu 15:30 MA 005
Specific Synthesis of Pt Nanowires for Catalytic Applications
— •Daniela Fenske 1,4 , Holger Borchert 2,4 , Jan Kehres 1,4 ,
Joanna Kolny-Olesiak 2,4 , Marcus Bäumer 3,4 , and Katharina Al-
Shamery 1,4 — 1 IRAC, University of Oldenburg, Germany — 2 EHF,
University of Oldenburg, Germany — 3 IAPC, University of Bremen,
Germany — 4 Center of Interface Science (CIS), Germany
Metallic nanomaterials are of great interest in the last years due to
their interesting properties as new materials for optical, electronic,
magnetic or catalytic applications. Particularly size and morphology
of such nanoparticulate systems offer also high potential for material
improvement. A promising issue is the preparation of platinum
nanowires by means of colloidal chemistry which allows obtaining particles
with well-defined size and shape by use of stabilizing ligands.
Recent efforts have been focused on the development of synthesis
based on Jana and Peng et.al. [1] to obtain these nanowires. Therefore
we were able to prepare dodecylamine-capped Pt nanowires with
2 nm in diameter and several multiple in length in varying the synthesis
conditions. The influence of temperature, stabilisers and reducing
agents on the morphology has been investigated. The catalytic activity
of such nanowires immobilized at different oxidic supports could also
be demonstrated on the example of CO oxidation and will be compared
to spherical Pt and bimetallic colloidal nanoparticles [2]. [1]: N.
R. Jana, X. Peng, J. Am. Chem. Soc. 2003, 125, p.14280-14281 [2]:
H. Borchert, D. Fenske, J. Kolny-Olesiak, J. Parisi, K. Al-Shamery,
M. Bäumer, Angew. Chem. Int. Ed. 2007, 46, p.2923-2926
O 73.5 (115) Thu 15:45 MA 005
Structural fluxionality in the CO adsorption on pure and
binary silver-gold clusters AgnAum + — •Denisia M. Popolan
and Thorsten M. Bernhardt — Institut für Oberflächenchemie und
Katalyse, Albert-Einstein-Allee 47, Universität Ulm, 89069 Ulm, Germany
Temperature dependent reactivity measurements performed in a low
energy ion beam apparatus, consisting of a sputter cluster ion source
and a temperature variable octopole ion trap combined with an tandem
mass spectrometers arrangement, shed new light on the reactive behaviour
of pure and binary silver-gold cluster cations with CO. Several
trends in the size and composition dependent reactivity were observed.
While all investigated clusters form carbonyl products, the formation
kinetics and maximum number of adsorbed CO strongly vary for the
different cluster ions. In the case of the trimers, the largest saturation
coverage is observed for Au3 + . In contrast, for the pentamer clusters
the maximum number of adsorbed CO molecules, at low temperatures,
increases with increasing number of silver atoms n in AgnAum + , correlated
with a decrease in the CO binding energy. The results are discussed
in terms of enhanced structural fluxionality due to the larger
silver content in combination with a gradual change in the bonding
type of CO to the metal clusters.
15 min. break
O 73.6 (262) Thu 16:15 MA 005
Ligand versus ensemble effects in the adsorption on nanostructured
bimetallic surfaces — Sung Sakong 1 , Yoshihiro
Gohda 2 , and •Axel Groß 3 — 1 Fachbereich Physik, Universität
Duisburg-Essen, Duisburg, Germany — 2 Department of Applied
Physics, The University of Tokyo, Japan — 3 Institut für Theoretische
Chemie, Universität Ulm, Germany
We have performed total energy calculations based on density functional
theory addressing the reactivity of nanostructured bimetallic
surface alloys. The catalytic activity of alloys is determined by electronic,
geometric and structural factors which are often summarized
employing the terms ligand and ensemble effects. Using the systems
PdCu [1] and PtAu [2] as examples, we show that bimetallic systems

can exhibit properties that do not correspond to an intermediate behavior
in between those of the pure components but that are rather
beyond those of both components [3]. Furthermore, whereas single
atoms of the surface alloys can show a decreasing interaction strength
with adsorbates (ligand effect), the binding at the most favorable adsorption
sites can still become stronger when the concentration of the
more reactive metal is increased (ensemble effect). The electronic and
geometric effects underlying these phenomena will be addressed.
[1] S. Sakong, C. Mosch, and A. Groß, PCCP 9, 2216 (2007).
[2] Y. Gohda and A. Groß, Surf. Sci. 601, 3702 (2007).
[3] A. Groß, Topics Catal. 37, 29 (2006).
O 73.7 (373) Thu 16:30 MA 005
From adlayer to surface alloy - Change in chemical properties
of bimetallic PtRu/Ru(0001) surfaces — •Thomas Diemant,
Andreas Bergbreiter, Joachim Bansmann, Harry Hoster, and
Rolf Jürgen Behm — Institute of Surface Chemistry and Catalysis,
Ulm University, D-89069 Ulm
The chemical and catalytic properties of bimetallic surfaces are of high
interest as model systems for bimetallic catalysts. We studied the influence
of the structural properties of PtRu/Ru(0001) model systems
on their chemical properties. STM measurements show a change of the
surface morphology in dependence of the deposition/annealing temperature.
Deposition of Pt at room temperature (300 K) leads to dendritic
Pt islands, while heating to 700 K results in rounded Pt islands. Annealing
to even higher temperatures leads to the gradual formation
of a surface alloy, which is completed at 1300 K. This surface alloy
is characterised by a statistical distribution of the constituents in the
surface layer. The change of the structural properties induces changes
in the chemical surface properties, which were tested by the interaction
of CO and D2 with the model surfaces. The CO and D2 TPD spectra
show a redistribution of the intensity in the desorption peaks due to
the modification of the surface structure. The influence of the surface
structure is also evidenced in IR spectra of CO adsorbed on the model
surfaces. We will correlate the change of the chemical properties of
the bimetallic PtRu/Ru(0001) model systems to the modification of
the structural properties and explain the variation of the chemical
properties in terms of ligand, ensemble, and strain effect.
O 73.8 (574) Thu 16:45 MA 005
Adsorption of CO on PdRu surfaces alloys studied by infrared
reflection absorption spectroscopy — •Heinrich Hartmann,
Thomas Diemant, Joachim Bansmann, and Rolf Jürgen
Behm — Institute of Surface Chemistry and Catalysis, Ulm University,
D-89069 Ulm
The adsorption of CO on PdRu surface alloys on Ru(0001) has been
studied by IRAS. The surface alloys were created by evaporating Pd
on a Ru(0001) substrate and subsequent annealing to 1100 K. STM
imaging shows a tendency toward island formation (phase separation)
of the two constituents. IRAS experiments were performed to determine
the CO adsorption sites on these bimetallic alloys. CO shows
the same tendency for occupation of adsorption sites on the mixed
PdRu surface as on the pure Ru(0001) and Pd(111) surfaces. On the
Ru parts of the alloys CO adsorbs in a linear on-top configuration,
on the Pd parts the adsorption of CO takes place on threefold-hollow
sites (at small CO coverages) and on linear and bridge sites at (higher
CO coverages). For all absorption bands the C-O vibration shifts to
lower frequencies compared to the pure Ru(0001) and Pd(111) sur-
Thursday
faces. These shifts are attributed to a modification of the electronic
properties of the system.
O 73.9 (595) Thu 17:00 MA 005
Decomposition of methanol by Pd, Co and bimetallic Co-Pd
catalysts: model studies bridging the pressure gap — Tobias
Nowitzki 1 , Holger Borchert 1 , Birte Jürgens 1 , Peter Behrend 2 ,
Yulia Borchert 1 , Thomas Risse 3 , •Volkmar Zielasek 1 , Suzanne
Giorgio 4 , Claude R. Henry 4 , and Marcus Bäumer 1 — 1 Institut
für Angewandte und Physikalische Chemie, Universität Bremen —
2 UFT, Universität Bremen — 3 Fritz-Haber-Institut der Max-Plack-
Gesellschaft, Berlin — 4 CRMCN-CNRS, Campus de Luminy, Marseille
Bimetallic particles may exhibit catalytic activities which reach far
beyond those of the monometallic components. For the Co/Pd combination
which is, e.g., of technological relevance for the hydrogenation
of CO on the route from natural gas to liquid fuel, we have studied
the interaction of model catalysts with methanol in order to obtain
mechanistic information on decomposition reactions. In UHV studies,
STM, TPD and XPS were performed at mono- and bimetallic
nanoparticles prepared by PVD on thin epitaxial alumina films on
NiAl(110). In comparison, the performance of Co/Pd nanoparticles,
wet-chemically prepared on MgO, was studied in continuous flow reactors
using DRIFTS and gas phase analysis at ambient pressure. This
dual approach provides a consistent picture: The decomposition of
methanol proceeds in two reaction pathways, the relative importance
of which varies with the particle compositions. CO desorption is the
limiting factor for activity at lower temperatures. Although electronic
effects in the bimetallic system facilitate CO desorption, they do not
compensate the lower intrinsic activity of Co sites compared to Pd
sites.
O 73.10 (295) Thu 17:15 MA 005
UPS investigations of ultrathin Au films deposited on
Pd(110) — •Marco Moors 1 , Tomasz Kobiela 1 , Marko Kralj 2 ,
Tobias Pertram 1 , Conrad Becker 1 , and Klaus Wandelt 1 —
1 Institute of Physical and Theoretical Chemistry, University of Bonn,
Germany — 2 Institute of Physics, University of Zagreb, Croatia
The surface morphology and the local electronic properties of ultrathin
Au films deposited on Pd(110) under UHV conditions have been
studied by ultraviolet photoelectron spectroscopy and related methods.
Investigations of bimetallic systems concerning morphology and
adsorption properties are of great interest for the development of new
catalysts with higher efficiency and durability. Our UPS and PAX
experiments verified former STM studies [1] which showed a strong
temperature dependence of the surface morphology. The Au-Pt surface
prepared at 150 K is already quite flat and undergoes only a weak
smoothening by annealing to 250 K. At a surface temperature of *
600 K gold starts to diffuse into the bulk forming a well ordered Au-
Pd surface alloy with a maximal alloy concentration on the surface
reached at 850 K. At an annealing temperature of 1050 K the surface
gold depletion is completed. Besides the characterization of the Au-Pt
system several adsorption experiments with various catalytic relevant
molecules like CO and methanol have been performed.
[1] M. Kralj, A. Bailly, M.-C. Saint-Lager, S. Degen, A. Krupski,
C. Becker, P. Dolle, M. De Santis, K. Wandelt; Surf. Sci. 600 (2006)
2614.
O 74: Metal Substrates: Adsorption of O and/or H
Time: Thursday 15:00–17:15 Location: MA 141
O 74.1 (399) Thu 15:00 MA 141
Structure determination for the W(100)-(2×2)-O surface
phase — •Wolfgang Meyer, Kerstin Biedermann, Lutz Hammer,
and Klaus Heinz — Lehrstuhl für Festkörperphysik, Universität
Erlangen-Nürnberg, Staudtstr. 7, D-91058 Erlangen
For oxygen adsorbed on the W(100) surface and annealed at a temperature
of 1000 ◦ C a (2×2) reconstruction is observed for which an
O coverage larger than 1.0 ML has been reported [1]. Although the
existence of this surface phase has been known for long, its structure is
still unknown. We investigated this W(100)-(2×2)-O phase by means
of quantitative LEED. The analysis reveals that the surface comprises
two coexisting domains with p(2×2) and p(2×1) order, respectively.
The p(2×1) structure is the already known missing row reconstruction
with 1 ML oxygen atoms residing in the three-fold sites along the
tungsten chains [2]. The p(2×2) domain consists of a single W atom
per (2×2) unit cell decorated by four O atoms. Another oxygen atom
is located on top of the 3 rd layer tungsten atoms, resulting in a total
oxygen coverage of 1.25 ML for this domain. The surface is covered
with the two domains at a fraction of 60 % for the (2×2) order and
40 % for the (2×1) order. The W(100)-(2×2)-O surface phase can be
considered as a precursor for the (2×1) missing row structure which is
fully developed for higher annealing temperatures.

[1] E. Bauer et al., Surf. Sci. 58 (1976) 517
[2] H. Yamazaki et al., Surf. Sci. 477 (2001) 174
O 74.2 (293) Thu 15:15 MA 141
Oxidation of Fe3Al followed by surface X-ray diffraction
— •Claus Ellinger, Vedran Vonk, Navid Khorshidi, Andreas
Stierle, and Helmut Dosch — Max-Planck-Institut für Metallforschung,
The interaction between oxygen and alloy surfaces plays a key role
in many processes, such as thin film growth, corrosion and catalysis.
Due to preferential surface segregation in binary alloys, one of the constituents
will react with oxygen to form a thin oxide layer. These oxide
layers are used as templates for model catalysts, tunneling barriers in
electronic devices, or corrosion-resistant devices. To study the structural
composition of the alloy surfaces at realistic conditions and to follow
their oxidation process, surface sensitive x-ray diffraction (SXRD)
provides a non-destructive in-situ technique. In this talk, the oxidation
of Fe3Al(110) will be discussed and compared to NiAl(110). Using
AES, LEED and SXRD, we find a chemically well ordered surface of a
clean Fe3Al crystal. After exposure to a small amount of oxygen this
ordering of the substrate completely disappears in the near surface region
and a smooth thin Al2O3 layer is formed. While the fundamental,
disordered A2 phase of Fe3Al still exists in the surface region after the
oxidation, the two ordered phases of the alloy are only found in the
bulk. We therefore conclude that the substrate-oxide interface is still
sharp and well-defined, while there is an oxygen induced shift of the
stoichiometry within the surface towards the A2 phase.
O 74.3 (89) Thu 15:30 MA 141
Oxidation of palladium surfaces and nanoparticles —
•Nicola Seriani 1 , Florian Mittendorfer 1 , Georg Kresse 1 ,
Jan Klikovits 2 , Evelyn Napetschnig 2 , Michael Schmid 2 , Peter
Varga 2 , Rasmus Westerstrom 3 , and Edvin Lundgren 3 —
1 University of Vienna, Austria — 2 TU Vienna, Austria — 3 Lund Uni-
versity, Sweden
Palladium finds wide application as oxidation catalyst, where a fundamental
role is played by the interaction of its surfaces with oxygen.
We have investigated formation of adsorption structures and surface
oxides on selected Pd surfaces at atomistic level by density functional
theory and first-principles thermodynamics as complement to experimental
investigations. Surface oxide monolayers with stoichiometry
close to that of bulk PdO have been observed and characterized and
conditions for their thermodynamic stability have been predicted. Surface
free energies of formation are then used in a Wulff construction to
predict the shape of nanoscopic particles of palladium in dependence
of temperature and oxygen pressure.
O 74.4 (438) Thu 15:45 MA 141
Hot adatom motion tackled from first-principles — •Jörg
Meyer and Karsten Reuter — Fritz-Haber-Institut, Faradayweg
4-6, D-14195 Berlin (Germany)
The initial stages of the oxidation of metal surfaces are still far from
being understood - despite their essential importance for example in
the field of oxidation catalysis. In view of the exothermicity of the
dissociative adsorption of O2 at most metal surfaces, one fundamental
question concerns the energy dissipation into the substrate, which, if
sufficiently slow, could give rise to a transient mobility of the adsorbed,
but not yet equilibrated oxygen atoms. In order to address this issue
by first-principles theory we separate the molecular encounter with the
surface into two stages: At large distances from the surface, substrate
mobility can still be neglected and we focus our density-functional theory
calculations on the six-dimensional potential-energy surface (PES)
representing the molecular degrees of freedom. Performing extensive
molecular dynamics (MD) runs on this suitably interpolated PES we
evaluate the steering of thermal molecules into specific entrance channels.
The corresponding molecular orientations and positions at intermediate
heights above the surface form then statistically relevant
starting geometries for first-principles MD trajectories of the remaining
dissociation path that consider a full substrate mobility in large
surface unit-cells. Applying this scheme to the O2 dissociation over
Pd(100), we will critically discuss a possible transient mobility especially
in view of the restrictions on phononic dissipation inside the
employed supercell geometry.
O 74.5 (68) Thu 16:00 MA 141
Step decoration studied with first-principles statistical mechanics
— •Yongsheng Zhang and Karsten Reuter — Fritz-
Haber-Institut, Faradayweg 4-6, D-14195 Berlin (Germany)
Thursday
With respect to oxidation catalysis or oxide formation, surface defects
like steps, kinks, or vacancies are widely believed to play a decisive
role, e.g. in form of active sites or as nucleation centers. Despite
this suggested importance, first-principles investigations qualifying this
role for gas-phase conditions that are representative of these applications
are scarce. This is mostly due to the limitations of electronicstructure
calculations in tackling the large system sizes and huge configuration
spaces involved. We overcome these limitations with a firstprinciples
statistical mechanics approach coupling density-functional
theory (DFT) calculations with grand-canonical Monte Carlo simulations,
and apply it to obtain the phase diagram of on-surface O
adsorption at a (111) step on a Pd(100) surface. The link between
the electronic and mesoscopic techniques is achieved by a lattice-gas
Hamiltonian expansion, in which we parameterize the lateral interactions
affected by the step from DFT calculations at a Pd(117) vicinal
surface, and all remaining lateral interactions from calculations at
Pd(100). For a wide range of O gas-phase conditions we find the (111)
step to be decorated by a characteristic zig-zag structure. Intriguingly,
this structure prevails even up to the elevated temperatures characteristic
for catalytic combustion reactions, where only small amounts of
disordered oxygen remain at the Pd(100) surface.
O 74.6 (214) Thu 16:15 MA 141
Hindered Spin-Transitions in the Dissociative Adsorption
of O2 on Al(111) — •Christian Carbogno 1 , Jörg Behler 2 ,
Axel Groß 1 , and Karsten Reuter 3 — 1 Institut für Theoretische
Chemie, Universität Ulm, Germany — 2 Lehrstuhl für Theoretische
Chemie, Ruhr-Universität Bochum, Germany — 3 Fritz-Haber-Institut
der Max-Planck-Gesellschaft, Berlin, Germany
The low sticking probability for thermal O2 molecules at Al(111) has
recently been related to spin selection rules, which hinder transitions
from the initial O2 gas-phase triplet state to the singlet state of the
adsorbed O atoms [1]. A constrained DFT approach was employed
to compute potential energy surfaces (PESs) of O2 in different spinconfigurations
from the surface, and the experimental sticking probability
was qualitatively reproduced when restricting the O2 molecule
to motion on the spin-triplet PES only. Here, we extend these studies
by considering the dissociation dynamics on multiple spin PESs, allowing
transitions between them within Tully’s fewest-switches algorithm
as recently implemented [2]. The required non-adiabatic coupling elements
have been derived in an ab initio fashion from the comparison
between adiabatic and constrained-DFT PESs. Within this framework
we obtain both good agreement with experiment for the fundamental
features of the system as well as deeper insight into more peculiar
characteristics of the dynamics. Based on our results, we propose experiments
which can be used for the validation of our approach.
[1] J. Behler et al., Phys. Rev. Lett. 94, 036104 (2005).
[2] C. Bach et al., Israel J. Chem. 45, 46 (2005).
O 74.7 (598) Thu 16:30 MA 141
Wechselwirkung von Wasserstoff mit einer Rhodium(210)-
Oberfläche — •Henan Li, Christian Pauls und Klaus Christmann
— Institut für Chemie und Biochemie, Freie Universität Berlin, Takustr.
3, 14195 Berlin, Germany
In Fortsetzung unserer Studien zur Wechselwirkung von Wasserstoff
mit fcc(210)-Oberflächen haben wir die Adsorption von Wasserstoff
auf Rh(210) im Bereich zwischen 70 und 700 K mittels LEED, Thermodesorption,
H2-D2-Isotopenaustausch- und Austrittsarbeits-(∆ϕ)-
Messungen untersucht. Bei 70 K adsorbiert Wasserstoff in mindestens
vier Bindungszuständen (β3, β2, β1 und α), die sequentiell bevölkert
werden. β3 (Tdes = 300...360 K) und β2 (200...250 K) desorbieren
mit (leicht bedeckungsgradabhängigen) Energien von ca. 80 bzw. 63
kJ/Mol nach 2. Ordnung und zeigen eine Erhöhung der Austrittsarbeit
um ca. 120 meV, während der β1-Zustand (Tdes = 150 K mit
Edes = 35 kJ/Mol) ebenso wie der α-Zustand (Tdes = 93 K mit Edes =
23 kJ/Mol) eine Desorptionsordnung von 1 aufweist und zudem mit
einer deutlichen ∆ϕ-Erniedrigung verknüpft ist (∆ϕβ1 ≈ −80 meV;
∆ϕα ≈ −300 meV). Ähnlich wie bei Pd(210) und Ni(210) bildet keiner
der Zustände eine LEED-Überstruktur. H2-D2-Isotopenaustausch
weist die β-Zustände klar als atomare H-Zustände aus, während die reduzierte
HD-Intensität des α-Zustandes sowie dessen starke Austrittsarbeitsabnahme
- ähnlich wie bei Pd(210) - zumindest Anteile von
molekular chemisorbiertem Wasserstoff nahelegen. Im Unterschied zu
Pd(210) erhalten wir jedoch keine Hinweise auf Subsurface-Wasserstoff.
O 74.8 (216) Thu 16:45 MA 141

Strain effects in the adsorption on early transition metals
— •Sebastian Schnur and Axel Groß — Institut für Theoretische
Chemie, Universität Ulm, Germany
Strain effects in the adsorption on transition metal surfaces have recently
attracted a lot of attention. Strain can significantly change the
electronic structure and thus the reactivity and catalytic properties
of these metals. These effects occur, e.g., if a metal grows pseudomorphically
on another metals. In this context, only late transition
metals have been investigated so far [1] because they are the common
catalytically active metals. However, early transition metals such as
titanium or manganese represent promissing candidate materials in
light intermetallic compounds for hydrogen storage.
Compressive strain leads to a reduced overlap of the wave functions
and thus to a narrowing of the d-band. Charge conservation leads either
to a downshift of the d-band in early transition metals or to an
upshift in late transition metals because of the different degree of filling.
According to the d-band model, a downshift of the d-band should
cause weaker interactions with adsorbates [1]. We performed density
functional theory calculations to study for the first time strain effects
in several early transition metals using hydrogen and CO adsorption
energies as a probe for their reactivity. The DFT results confirmed the
predictions of the d-band model, thus providing guidance for a rational
modification of the chemical properties of early transition metals. [1]
M. Mavrikakis, B. Hammer, and J.K. Nørskov, Phys. Rev. Lett. 81,
2819 (1998).
O 75: Oxides and Insulators: Epitaxy and Growth
Thursday
O 74.9 (304) Thu 17:00 MA 141
Femtosecond laser desorption of atomic hydrogen from
graphite in the visible and in the XUV using FLASH —
•Robert Frigge 1 , Tim Hoger 1 , Björn Siemer 1 , Carsten Thewes 1 ,
Marcus Rutkowski 1 , Helmut Zacharias 1 , Stefan Düsterer 2 , and
Rolf Treusch 2 — 1 Physikalisches Institut, Münster, Germany —
2 Hasylab, Hamburg, Germany
The desoption of hydrogen from HOPG is of great interest in astrophysics.
In so called H-I-clouds particles form areas of higher density
in which protostars develop. The rise of protostars out of H clouds
is not yet fully understood. This talk presents the laser desorption
of hydrogen from HOPG. The velocity distribution of atomic hydrogen
from HOPG is examined after surface excitation with fs pulses of
800 nm and 400 nm from a Ti:Sa laser system and 32 nm from a free
electron laser(FLASH).
The atomic hydrogen is ionised via the 1s → 2s transition using a 2+1
REMPI detection scheme. Ionised H atoms are detected by a time-offlight
mass spectrometer. The arrival time distribution of H atoms at
the ionised volume is measured by varying the delay between the pump
and the probe laser. The transformation into a velocity distribution
yields extremely slow velocities. The results are discussed more generally
with the two temperature model and also in light of a recent DFT
calculation. [Hornekaer et al., Phys. Rew. Lett.97, 186102 (2006)]
Time: Thursday 15:15–17:15 Location: MA 042
O 75.1 (61) Thu 15:15 MA 042
Preparation of High-Quality Ultrathin Free-Standing Bismuth
Films — •Thomas Payer, Manuel Ligges, Ivan Rajković,
Ping Zhou, Dietrich von der Linde, Michael Horn-von Hoegen,
and Frank Meyer zu Heringdorf — Universität Duisburg-Essen,
FB Physik, Duisburg, Germany
High-quality ultrathin free-standing metal films are used in many applications
like X-ray filters or TEM/TED sample preparation. Deposition
on top of sodium chloride templates is a well-known method to
grow such films. Typically the crystals are either cleaved in UHV and
material is deposited immediately afterwards yielding textured films.
Alternatively crystals are cleaved in air making the preparation easier
but yielding only lower-quality films. Due to step bunches from the
cleaving only small area films can be grown. Our new preparation
technique yields high-quality films on a millimeter scale.
We start from large (25mm and above) commercially sold sodium
chloride single crystals. As sold, the sodium chloride disks are polished
for optical applications in the infrared. The surface exhibits a large
roughness and 100nm particle contaminations. Using a water rinse
on a spin coater, the contaminations are completely removed. After
an additional propanol rinse, AFM shows the presence of atomically
flat terraces and regularly spaced atomic steps on the surface. Transfer
into UHV yields the clean NaCl LEED pattern. Bismuth films of
20nm thickness are deposited in UHV at room temperature. Ex-situ
AFM showed a roughness of only 1.5nm and crystallite sizes of 200nm.
Additionally the crystallinity was studied with TED and TEM
O 75.2 (368) Thu 15:30 MA 042
EBSD measurements and optimization of MBE-growth of
Aluminum — •rudolf nüssl, torsten sulima, and ignaz eisele —
Universität der Bundeswehr, Institut für Physik, Werner-Heisenberg-
Weg 39, 85577 Neubiberg
The analysis of microstructure has become an important link between
the science and the technology of materials. Since a few years the
microstructure-analysis has been revolutionized by a new technique
called Electron-Backscatter-Diffraction (EBSD). In this lecture it is
shown, how EBSD can be used to optimize metallization systems of
microelectronic devices by determining the epitaxial properties of the
metallization layers. The metal especially treated in this report is Aluminum,
which is deposited on substrates of LiTaO3 using MBE. When
Aluminum is deposited directly on the substrate the metal will grow
polycristalline. In contrast, if a thin matching-layer of Titanium is
added on the crystalline substrate, Aluminum shows highly textured
or even epitaxial growth. Additionally the texture quality depends on
substrate-heating during deposition. The minimum thickness of the
Aluminum film to obtain accurate EBSD-measuring-results was determined
to be 200nm.
O 75.3 (227) Thu 15:45 MA 042
Thin film growth of Fe2O3 on Ag(111) and Al2O3(0001) —
•Maike Lübbe, Alexander M. Gigler, and Wolfgang Moritz —
LMU, Department für Geo- und Umweltwissenschaften, Theresienstr.
41, D-80333 München
Hematite, α-Fe2O3, is an interesting and important iron oxide, most
notably due to its magnetic and catalytic properties. However, the
bulk material is a semiconductor with a wide band gap, Eg = 2.1 eV,
which renders electron spectroscopic measurements very difficult.
We therefore grew Fe2O3 thin films on Ag(111), a system similar to
Fe2O3 on Pt(111) (see e. g. [1]), which has not been reported up to
now. The thin films were grown by MBE at low substrate temperatures,
Tsub ≤ 100 ◦ C, in an O + O2 atmosphere, p ≈ 10 −7 mbar, using
an atomic oxygen source. The samples were characterised by different
methods including Auger spectroscopy, XRD, AFM and Raman
spectroscopy.
For comparison, we also grew Fe2O3 thin films on Al2O3(0001),
a more commonly known system (see e. g. [2]). We had to choose
higher substrate temperatures, Tsub ≈ 500 ◦ C, to get reasonable results.
Analysis revealed that thin films grown on Al2O3 are much
smoother than those grown on Ag.
XRD measurements that will help to figure out structural differences
between Fe2O3 thin films grown on Ag(111) or Al2O3(0001) are still
in progress.
[1] A. Barbier et al., Phys.Rev. B 72, 245423 (2005)
[2] I. J. Lee et al., J. Vac. Sci. Technol. A 23, 1450 (2005)
O 75.4 (63) Thu 16:00 MA 042
Growth and characterization of ultrathin CeOx films on
Pt(111) — Jan Markus Essen, Tobias Pertram, •Conrad
Becker, and Klaus Wandelt — Institut für Physikalische und Theoretische
Chemie, Universität Bonn, Wegelerstrasse 12, 53115 Bonn,
Germany
The use of cerium oxides in catalysis is mainly motivated by its good redox
properties and oxygen storage capability. The reproducible preparation
of well characterized thin films of CeOx on a conducting material
is important for using these films as model catalyst for the investigation
of simple reactions with surface sensitive techniques. In this
study we investigated CeOx films grown on Pt(111) with CO-TPD
and HREELS.In order to produce CeOx thin films we followed three

different routes: 1) Oxidation of Pt-Ce surface alloys at different temperatures;
2) oxidation of pure vapor deposited Ce films on Pt(111);
and 3) evaporation of Ce in an oxygen atmosphere followed by annealing
in oxygen. For Pt-Ce surface alloys oxidized at 900 K HREELS
shows a pure CeO2 film composition. Oxidation at 700 K and 1000
K however, does not lead to full oxidation of Ce, but a mixed oxide is
suggested by the phonon spectra. CO-TPD measurements show that
the pure CeO2 films on Pt(111) are not closed. In contrast, exposing
the Ce-covered Pt(111) surface to oxygen at 90 K followed by annealing
to 1000 K does generate a fully covered surface, but again with
a mixed oxide. Evaporating Ce in oxygen atmosphere also produces
fully oxidized CeO2 films but they show no good long-range order.
O 75.5 (631) Thu 16:15 MA 042
Growth of well-ordered MnxOy films on Pt(111): An invivo
STM/STS study at elevated temperatures — •Benjamin
Bochmann, Christian Hagendorf, Steffen Sachert, and Wolf
Widdra — Institute of Physics, Martin-Luther-Universität Halle-
Wittenberg, Halle
Growth behavior as well as atomic and electronic structure of ultra
thin epitaxial manganese oxide films on Pt(111) have been studied using
STM/STS and LEED. The films have been prepared by reactive
deposition of manganese in an oxygen atmosphere of 10 −8 to 10 −6
mbar. STM measurements performed during growth (in vivo) at elevated
temperatures (400-600 K) reveal three different well-ordered
monolayer structures depending on the preparation conditions: At lowest
oxygen pressure a (19 × 1) uniaxially reconstructed MnO(100)-like
layer is formed. STM data which resolve all atoms within one sublattice
reveal details of the reconstruction. At higher oxygen pressure,
an intermediate MnxOy monolayer grows. It is complex, but characterized
by sharp LEED pattern which corresponds with atomically
resolved STM images of the periodic 1,5 nm × 1,5 nm unit cell structure.
Under highly oxidizing conditions a quasi-hexagonal monolayer
with MnO2 stoichiometry is formed. LEED shows sharp satellite peaks
which can be understood as a Moiré structure with 7% misfit to the
Pt(111) substrate. STM images indicate a wagon wheel like reconstruction.
The characterization of thicker MnxOy films up to 6 ML
is performed by STM and by noncontact-AFM. The latter allows also
imaging of insulating films.
O 75.6 (224) Thu 16:30 MA 042
Vibrational and electronic properties of ultrathin MnO(100)
films — •Sebastian Polzin 1 , Steffen Sachert 1 , Krassimir
Kostov 2 , and Wolf Widdra 1 — 1 Martin-Luther-Universität Halle-
Wittenberg, Institute of Physics, Halle — 2 Bulgarian Academy of Science,
Sofia, Bulgaria
The vibrational properties of ultrathin MnO(100) films on Pt(111)
have been studied using high-resolution electron energy loss spectroscopy
(HREELS). It was found that the strong optical phonon of
the 1st monolayer at 368 cm -1 shifts to 382 cm -1 with increasing coverage
up to 2 ML. At coverages above 1 ML a new phonon at 547 cm -1
is observed and identified as Fuchs-Kliewer phonon. Isotopic 16 O/ 18 O
substitution reveales that a collective vibration of the oxygen against
the manganese sublattice causes both phonons. For film thickness’ up
to 13 ML the Fuchs-Kliewer phonon shifts down to 539 cm -1 .
Electronic excitations in the energy range of 0-7.5 eV show well defined
and narrow d-d band excitations for MnO(100) films from 1 to 10 ML.
Thursday
They converge nicely with increasing thickness towards MnO(100) single
crystal data [1].
[1] B. Fromme et al., Phys. Rev. B 58, 9783 (1998).
O 75.7 (379) Thu 16:45 MA 042
Structure of epitaxial cobalt oxide films on Ir(100)-(1×1)
— •Daniela Hock, Wolfgang Meyer, Kerstin Biedermann,
Matthias Gubo, Lutz Hammer, Stefan Müller, and Klaus Heinz
— Lehrstuhl für Festkörperphysik, Universität Erlangen-Nürnberg,
Staudtstr. 7, 91058 Erlangen
Epitaxial cobalt oxide films were prepared on unreconstructed Ir(100).
Visual LEED shows the resulting films to be of (111) orientation with,
dependent on preparation details, either a distorted or ideal hexagonal
unit mesh. In the distorted case there is, above 320 K, a (1×1) phase.
The ideally hexagonal phase is accompanied by a (2×2) superstructure.
In both cases the film thickness prohibits scattering contributions from
the iridium substrate.
LEED intensities were taken for both the distorted (1×1) and the
undistorted (2×2) phase. They were analysed by TensorLEED using
phaseshifts alternatively for ions and neutral atoms. The distorted
(1×1) phase turns out to be of the CoO(111) rocksalt structure with,
however, substantial layer relaxations. Also, a stacking fault near the
surface appears to be essential to get a good fit quality. In contrast
to the distorted (1×1) phase, the undistorted (2×2) structure is due
to a spinel-type Co3O4(111) surface terminated by an oxygen layer
with 1/4 ML Co on top. For both phases convincing comparison between
experimental and model intensities is achieved (Pendry R-factor
0.19 and 0.13, respectively). The replacement of ionic by atomic phase
shifts results in the same structural parameters within the limits of
errors and similar best-fit R-factors.
O 75.8 (371) Thu 17:00 MA 042
Phases of epitaxial cobalt oxide films on Ir(100)-(1×1) —
•Kerstin Biedermann, Matthias Gubo, Daniela Hock, Wolfgang
Meyer, Lutz Hammer, and Klaus Heinz — Lehrstuhl für Festkörperphysik,
Universität Erlangen-Nürnberg, Staudtstr. 7, 91058 Erlangen
The unreconstructed (metastable) Ir(100)-(1×1) surface was used as
support for the formation of thin epitaxial films of cobalt oxide. They
were prepared by deposition of different amounts of cobalt and simultaneous
exposure to an oxygen atmosphere at 320 K followed by
annealing at higher temperatures. Dependent on exposure and annealing
various structures can be observed. LEED shows that all of them
own a hexagonal unit mesh which, however, can be slightly distorted.
As a consequence, the oxides formed must consist of polar bilayers.
Ultrathin films (1-2 bilayers) form a c(10×2) superstructure which,
according to its appearance in the STM, can be interpreted as rocksalttype
CoO(111) bilayers. Thicker films (≥4 bilayers), when oxygen rich
and annealed at up to about 720 K, exhibit an ideal hexagonal unit
mesh with a (2×2) superstructure. By further annealing at higher
temperatures this transforms (irreversibly) to a ( √ 3 × √ 3)R30 ◦ phase
with the basic hexagonal unit mesh slightly distorted. As monitored
by TDS the transformation is accompanied by the loss of about a
quarter of the oxygen content. This suggests that structurally this is
a transition from spinel-type Co3O4 to rocksalt-type CoO as in fact
corroborated by independent quantitative LEED analyses. At about
340 K the ( √ 3 × √ 3)R30 ◦ structure undergoes a reversible transition
to a (1×1) phase.
O 76: Organic, Polymeric, Biomolecular Films - also with Adsorbates
Time: Thursday 15:15–17:30 Location: MA 043
O 76.1 (138) Thu 15:15 MA 043
The Adsorption of Calcium on Regioregular Poly(3-
Hexylthiophene) Studied by Microcalorimetry and X-
Ray Photoemission Spectroscopy — •Fabian Bebensee 1 ,
Wanda Lew 2 , Junfa Zhu 3 , Jack Hess Baricuatro 2 , Hans-Peter
Steinrück 1 , J. Michael Gottfried 1 , and Charles T. Campbell 2
— 1 Lehrstuhl für Physikalische Chemie II, Universität Erlangen-Nürnberg,
Egerlandstraße 3, D-91058 Erlangen, Germany — 2 Department
of Chemistry, University of Washington, Seattle, WA 98195, USA —
3 National Synchrotron Radiation Laboratory, University of Science
and Technology of China, Hefei, Anhui 230029, China
Regioregular poly(3-hexylthiophene) (rr-P3HT) is a semiconducting
polymer used in organic electronics (OLED, OFET). In such applications,
the interface structure and the interaction strength between the
polymer and the electrode (e.g. Ca) play a crucial role in the performance
of the device. The energetics of the interface, which directly
reflects the interactions strength between the polymer and the metal
film, is not accessible with conventional surface science techniques,
but can be studied using adsorption microcalorimetry. We present a
microcalorimetric study of the adsorption of Ca onto freshly prepared
and, via electron irradiation, predamaged rr-P3HT films. Calorimetric
measurements are supplemented by high-resolution XPS. The unusual
combination of these complementary techniques leads to a new level
of understanding of this technologically relevant interface. Financial

support by the DAAD and the NSF is gratefully acknowledged.
O 76.2 (547) Thu 15:30 MA 043
Mercaptopyridine and 4-aminothiophenol self-assembled layers
in metal-molecule-metal contacts: a computational DFT
study — •Jan Kucera and Axel Groß — Institute für Theoretische
Chemie, Universität Ulm, Germany
Recently it has become possible to deposit two-dimensional Pd layers
on top of a 4-mercaptopyridine (Mpy) or a 4-aminothiophenol (4-
ATP) self-assembled monolayer (SAM) on Au(111) leading to metalmolecule-metal
contacts [1]. We performed periodic density functional
theory (DFT) calculations in order to contribute to the interpretation
of the experimentally observed geometric and electronic structures.
The calculations show that the adsorption structures of Mpy and
4-ATP on Au(111) are very similar. Both molecules prefer to bind to
bridge-hollow sites at low as well as at high coverages. At low coverages,
the molecules are significantly tilted from the Au(111) surface
normal, whereas a denser packing leads to more upright configurations.
The Pd/SAM interfaces correspond to metastable configurations in
spite of the relatively strong Pd-Au interaction. The Pd-SAM contact
is made through one-fold coordinated Pd-N bonds. In agreement
with the experiment, the density of states (DOS) of Pd layer shows
a significant reduction close to the Fermi level with respect to bulk
Pd due to the Pd-N interaction. Also in agreement with experiment,
the calculations confirm that 4-ATP is able to form bilayer structures
connected through hydrogen bonds between the sulfur head group and
up to to three hydrogen atoms of the amino group.
[1] H.-G. Boyen et al., Nature Materials 5, 394 (2006)
O 76.3 (145) Thu 15:45 MA 043
Self-assembled monolayers of aromatic tellurides on gold and
silver substrates — Tobias Weidner 1 , Andrey Shaporenko 1 , Jan
Müller 2 , Michael Höltig 2 , Andreas Terfort 2 , and •Michael
Zharnikov 1 — 1 Angewandte Physikalische Chemie, Universität Heidelberg,
69120 Heidelberg, Germany — 2 Faculty of Chemistry, University
of Marburg, 35032 Marburg, Germany
Self-assembled monolayers (SAMs) formed from bis(4’methylbiphenyl-4-yl)
ditelluride (BBPDTe) precursors on Au(111)
and Ag(111) substrates were characterized by high-resolution X-ray
photoelectron spectroscopy and near-edge X-ray absorption fine structure
spectroscopy. BBPDTe was found to adsorb dissociative on both
substrates, resulting in the formation of well-defined, densely packed,
and ordered BPTe SAMs, with a larger molecular inclination, a lower
packing density, and inferior crystallinity on Au than on Ag. However,
both BPTe/Au and BPTe/Ag were not stable under ambient conditions,
but underwent a rapid autooxidation, which affected exclusively
the tellurolate headgroups. The BPTe molecules in the oxidized films
remained, however, bound to the substrate by the terminal O atoms
coordinated to the Te moieties, and the quality of the films, given by
parameters such as packing density, degree of the orientational order,
and average tilt angle of the SAM constituents was not noticeably
affected by the autooxidation. In addition, the BPTe SAMs were
compared with the analogous thiol- and selenol-based systems, and
common tendencies for the different chalcogen headgroups, ranging
from Te to O, were derived.
O 76.4 (538) Thu 16:00 MA 043
Fabrication of multifunctional surface structures via laser
patterning of silicon bound organic monolayers — •Benjamin
Klingebiel 1 , Luc Scheres 2 , Steffen Franzka 1 , Nils Hartmann 1 ,
and Han Zuilhof 2 — 1 Fachbereich Chemie and Center for Nanointegration
Duisburg-Essen (CeNIDE), Universität Duisburg-Essen
(UDE), 45141 Essen, Germany — 2 Laboratory of Organic Chemistry,
Wageningen University, Dreijenplein 8, 6703 HB Wageningen, The
Netherlands
Silicon substrates are widely used as platforms in many micro- and
nanofabrication schemes, e. g. in order to build up functional organic
templates. For this purpose suitable patterning and functionalization
techniques are needed [1-2]. Here we present a facile routine
which allows to fabricate multifunctional organic surface structures. Hterminated
Si(111) samples were functionalized with 1-hexadecene and
1-hexadecyne, respectively. Laser patterning of the primary monolayer
then was carried out following a photothermal routine creating structures
down to 100 nm and below [2]. For secondary functionalization of
the depleted lines the samples were etched in ammonium fluoride solution
and coated with hexadecynoic acid. Using N-hydroxysuccinimide
(NHS) coupling chemistry this provides a means to bind biochemical
Thursday
compounds with primary amine groups. In order to test this functionality
the samples were treated with NHS and dodecylamine.
1. L. Scheres, A. Arafat, H. Zuilhof, Langmuir 23 (2007) 8343.
2. D. Dahlhaus, S. Franzka, E. Hasselbrink, N. Hartmann, Nano
Letters 6 (2006) 2358.
O 76.5 (569) Thu 16:15 MA 043
Selective polymerization on laser patterned organic templates:
Towards switchable surface structures — Mareike
Mathieu, Alexander Friebe, Steffen Franzka, Mathias Ulbricht,
and •Nils Hartmann — Fachbereich Chemie and Center
for Nanointegration Duisburg-Essen (CeNIDE), Universität Duisburg-
Essen (UDE), 45141 Essen, Germany
Stimuli responsive polymeric hydrogels provide a means to build up
membranes with switchable pore structures [1]. Here we present results
from experiments which aim at the fabrication of hydrogel nanostructures
on planar surfaces. Native silicon wafers were coated with
octadecylsiloxane monolayers and patterned following a photothermal
procedure. In conjunction with postfunctionalization routines
hydroxyl-terminated organic surface structures with a lateral dimension
down to 100 nm and below have been prepared [2], and those were
used to introduce initiator sites for heterogeneous graft copolymerization.
Temperature-responsive poly(N-isopropylacrylamide) (PNI-
PAAm) was then grafted onto these structures via surface-initiated
atom transfer radical polymerization (ATRP). The thickness and
structure of the polymer coating were characterized using atomic force
microscopy (AFM). Work in progress also addresses the temperature
responsive properties of these polymer structures.
1. A. Friebe, M. Ulbricht, Langmuir 23 (2007) 10316.
2. D. Dahlhaus, S. Franzka, E. Hasselbrink, N. Hartmann, Nano
Letters 6 (2006) 2358.
O 76.6 (533) Thu 16:30 MA 043
Discrete laser patterning of phospholipid multilayers —
•Mareike Mathieu, Daniel Schunk, Steffen Franzka, Christian
Mayer, Eckart Hasselbrink, and Nils Hartmann — Fachbereich
Chemie and Center for Nanointegration Duisburg-Essen (CeNIDE),
Universität Duisburg-Essen (UDE), 45141 Essen, Germany
Phospholipid bilayers are widely recognized as model systems for biological
membranes. Phospholipid multilayers also have been used as a
matrix to arrange metallic nanoparticles into 2D structures [1]. Here
we report on a photothermal procedure to pattern such phospholipid
bilayer stacks. For patterning dioleyl-phosphatidic acid (DOPA) films
were deposited on native silicon samples using the spin coating technique.
Irradiation with a focused beam from an argon ion laser operated
at a wavelength of 514 nm allows to locally remove the coating
[2]. At a spot diameter of about 2.5 microns structures with lateral
dimensions down to 400 nm were prepared. Most remarkably, however,
partial removal can be carried out at incremental steps leaving a
distinct number of bilayers behind. This offers an opportunity to build
up discrete topographies, which could be used as 3D templates for the
fabrication of multilevel architectures of nanoscopic components.
1. A. Terheiden, C. Mayer, K. Moh, B. Stahlmecke, S. Stappert, M.
Acet, B. Rellinghaus, Appl. Phys. Lett. 84 (2004) 3891.
2. T. Balgar, S. Franzka, N. Hartmann, Appl. Phys. A 82 (2006)
689.
O 76.7 (659) Thu 16:45 MA 043
Growth of phospholipid membrane systems on selforganized
semiconductor templates — Gerald Trummer, Gregor
Hlawacek, Daniel Pressl, and •Christian Teichert — Montanuniversität
Leoben, Austria
Here, we use atomic force microscopy (AFM) to study the formation
of solid-supported lipid bilayers on a variety of nanofaceted selforganized
SiGe films on Si(001)[1] and ion eroded semiconductor surfaces
[2] in comparison to smooth Si(001) wafers. 1-Palmitoyl-2-Oleoylsn-Glycero-3-Phosphoethanolamine
(POPE) and 1,2-Dipalmitoyl-sn-
Glycero-3-Phosphocholine (DPPC) were used as model systems. The
resulting film morphology and the change of surface roughness have
been investigated as a function of initial roughness and morphology of
the substrate. Phase imaging is used to distinguish between the soft
lipid layers and the hard semiconductor substrate. On SiGe templates
showing a dislocation network it was found that the ridge trench structures
appearing at the surface guide the terrace edges of DPPC layers.
When the lipid coverage is very low, 100 nm x 100 nm pits of {105}
faceted SiGe film act as preferential deposition sites for lipid bilayers
resulting in ordered arrays of small POPE islands.

[1] C. Teichert, Phys. Rep. 365 (2002) 335. [2] S. Facsko, et. al.,
Science 285 (1999) 1551; T. Bobek, et al., Phys. Rev. B 68 (2003)
085324.
O 76.8 (518) Thu 17:00 MA 043
High Frequency QCM Flow Cell with Enhanced Accuracy
for Liquid and Biochemical Sensing — •Brigitte Paula
Sagmeister 1 , Hermann Gruber 2 , and Reinhard Schwödiauer 1 —
1 Soft Matter Physics, Johannes Kepler University, Altenbergerstrasse
69, 4040 Linz, Austria — 2 Institute for Biophysics, Johannes Kepler
University, Altenbergerstrasse 69, 4040 Linz, Austria
Throughout the last twenty years, acoustic wave sensors have been
proven to be an extremely sensitive and accurate device for a wide variety
of physical, chemical and biochemical sensing applications. Systems
based on thickness sheer mode (TSM) quartz resonators, working
in a liquid environment with resonance frequencies between 5 and 15
MHz, are already established for real-time measuremets of biochemical
interactions and commercially available on the market. The utilisation
of high frequency fundamental (HFF) quartz resonators, with
resonance frequencies up to 150 MHz (and beyond), could further improve
the sensitivity of such systems by orders of magnitude. We
present a fully biocompatible flow cell, designed for HFF quartz resonators
which, in spite of their small size, can be removed and exchanged
quickly and with ease . The system performance is evaluated
and quantified by a number of experiments including various viscosity
measurement of sugar based solutions, the detection of a BSA proteine
monolayer and other biochemical reactions. We further address
some specific problems especially related to reusability and cleaning
procedures.
O 77: Methods: Scanning Probe Techniques I
Thursday
O 76.9 (522) Thu 17:15 MA 043
Preparation and Surface Characterisation of Thermally
Deposited Ultrathin Ionic Liquid Films — •Till Cremer 1 ,
Manuela Killian 1 , Claudia Kolbeck 1 , J. Michael Gottfried 1 ,
Peter Wasserscheid 2 , Florian Maier 1 , and Hans-Peter
Steinrück 1 — 1 Lehrstuhl für Physikalische Chemie II, Universität
Erlangen-Nürnberg, Egerlandstrasse 3, 91058 Erlangen — 2 Lehrstuhl
für Chemische Reaktionstechnik, Universität Erlangen
Due to their unique physico-chemical properties, ionic liquids (ILs) are
promising candidates for many applications in electrochemistry, analysis,
synthesis, separation and lubrication technology, and in catalysis.
In surface science, ILs open up interesting new possibilities: Since
most ILs exhibit negligible vapour pressures at room temperature, various
surface science techniques that employ ultra-high vacuum can be
applied, enabling detailed investigations of their surface chemical composition
and electronic structure. Furthermore, at elevated temperatures,
thermal evaporation of ILs takes place, providing a new way for
the in-situ preparation of ultrathin IL films on planar substrates.
In an angular dependent photoelectron spectroscopy (XPS)
study we investigated imidazolium-based IL films of nanometer
thickness, deposited on glass. For 1-ethyl-3-methylimidazolium
bis(trifluoromethylsulfonyl)imide ([EMIM] + [Tf2N] − ), we were able
to demonstrate that the initial film growth occurs via a bilayer structure,
with the [Tf2N] − anions pointing away from the surface while
the [EMIM] + cations are oriented towards the surface.
This work is supported by the DFG through SPP1191.
Time: Thursday 15:30–17:30 Location: MA 041
O 77.1 (244) Thu 15:30 MA 041
Advanced Spherical Probes for Atomic Force Microscopy —
•Jan-Erik Schmutz, Marcus M. Schäfer, and Hendrik Hölscher
— CeNTech, Universität Münster, Heisenbergstr. 11, 48149 Münster,
Germany
In some areas of scanning probe microscopy it is highly important
to use tips with a well defined radius [1]. This problem is commonly
solved by glueing a microsphere onto the end of a tipless cantilever
[2]. Though this technique is widely used we found some drawbacks
especially for spheres with a radius smaller than 5 µm. Both in friction
force microscopy (FFM) and in dynamic force microscopy (DFM) the
effective tip height is an important parameter. In FFM the torsional
spring constant is inversely propotional to the square of the tip height.
Therefore, increasing the tip height decreases the torsional spring
constant which leads to an enhanced sensitivity. Moreover with an
increased tip height the risk of the cantilever edge touching a rough
surface is being reduced. The main problem in DFM with a small
tip height is the increased damping due to the compressed air in the
gap between the cantilever and the surface [3]. Here we present a new
cantilever design which avoids these disadvantages.
[1] W. A. Ducker et al., Nature 353, 239 (1991)
[2] L. H. Mak et al., Rev. Sci. Instrum. 77, 046104 (2006)
[3] O. I. Vinogradova et al., Rev. Sci. Instrum. 72, 2330 (2001)
O 77.2 (443) Thu 15:45 MA 041
Detection of Ferroelectric Domain Boundaries with Lateral
Force Microscopy — Tobias Jungk, Akos Hoffmann, and
•Elisabeth Soergel — Institute of Physics, University of Bonn,
Wegelerstrasse 8, 53115 Bonn, Germany
The contrast mechanism for the visualization of ferroelectric domain
boundaries with lateral force microscopy is generally assumed to be
caused by mechanical deformation of the sample due to the converse
piezoelectric effect. We show, however, that electrostatic interactions
between the charged tip and the electric fields arising from the surface
polarization charges dominate the contrast mechanism. A quantitative
estimate of the expected electrostatic forces as well as comparative
measurements on LiNbO3 and KTP crystals sustain this explanation.
O 77.3 (566) Thu 16:00 MA 041
Evaluating Electrostatic Force Microscopies for the Inves-
tigation of Near-Surface Dopant Distribution in Silicon —
•Markus Ratzke 1 , Mario Birkholz 2 , Joachim Bauer 2 , Detlef
Bolze 2 , and Juergen Reif 1 — 1 LS Experimentalphysik II, BTU Cottbus
und IHP/BTU JointLab, Konrad-Wachsmann-Allee 1, D-03046
Cottbus — 2 IHP, lm Technologiepark 25, D-15236 Frankfurt (Oder)
The still ongoing decrease in semiconductor device dimensions, both
laterally and in depth, requires a sub-micron-scale mapping of surface
potential, surface capacitance and near surface dopant distribution.
Corresponding methods should operate non-invasively, leaving
the specimen intact. Scanning-probe based techniques like Scanning
Kelvin Probe Microscopy (SKM) and non-contact Scanning Capacitance
Microscopy (SCM) represent promising tools.
To evaluate these techniques doping patterns produced by standard
CMOS technology on silicon were investigated experimentally. Lattices
of alternating p- and n-type doping in the 10 17 to 10 19 cm −3
range and a pitch of 360 nm were prepared by As + ion implantation.
The results are compared to FEM calculations for a correlation with
the expected carrier distributions. It turns out that SCM, mapping
electrostatic forces at the second or third harmonic frequency of the
AC driving voltage, yields higher resolution and contrast compared
to SKM. In addition this technique appears to be less influenced by
the actual surface conditions like roughness and surface charge. The
physical significance of the higher harmonics will be considered.
O 77.4 (95) Thu 16:15 MA 041
Fe/W(001) - a structurally, electronically and magnetically
inhomogeneous system studied by force microscopy — •Rene
Schmidt, Ung Hwan Pi, Alexander Schwarz, and Roland Wiesendanger
— Institute of Applied Physics, University of Hamburg,
Jungiusstr. 11, 20355 Hamburg
Since force microscopy detects all kinds of electromagnetic forces simultaneously,
imaging of inhomogeneous samples is particularly challenging.
We studied Fe films of around 1.3 atomic layers epitaxially
grown on W(001), which are in this respect a prototypical sample
system, as the structural, electronic and magnetic properties differ between
first and second layer. Iron grows pseudomorphically on W(001)
whereby the layers are highly strained. When imaging the surface, an
electrostatic contrast with bias dependent apparent step heights can
be observed, which is related to different work functions of first and
second layer. Kelvin Probe Force Microscopy allows to map the work
function and to measure the correct topography. Interestingly, we

found that even on the same layer, different work functions are observed.
Moreover, the first and second layer are magnetically different.
The first layer is antiferromagnetically ordered, while double layers are
ferromagnetic. As a result, a magnetostatic contrast from double layer
islands is visible at relatively large tip-sample distances with ferromagnetic
tips, while no magnetic signal is obtained on monolayer areas.
However, at small separations the antiferromagnetic c(2x2) structure
of the iron monolayer can be resolved by detecting the short-ranged
magnetic exchange force between tip and sample.
O 77.5 (223) Thu 16:30 MA 041
Resolution improvement for mid infrared nearfield optical microscopy
through gold nanoparticle scatterers — •Marc Tobias
Wenzel 1 , Susanne C. Schneider 1 , Lukas M. Eng 1 , Stephan
Winnerl 2 , and Manfred Helm 2 — 1 Institute of Applied Photophysics,
Technische Universität Dresden, 01062 Dresden — 2 Institute
of Ion Beam Physics and Materials Research, Forschungszentrum
Dresden-Rossendorf, 01314 Dresden
We present the implementation of 80 nm sized gold nanoparticles as
tips for scattering nearfield optical investigations in the mid IR using
a tunable free electron laser source (available frequency range 4 -
200 µm). At IR frequencies an efficient electric field confinement is
advantageous for deducing the local dielectric and optical properties
such as phonon vibration modes and local refractive indices of nmsized
implants. Our approach is based on confining the scattering
volume by using gold-nanoparticles of different diameters. First, every
single nanoparticle is characterized optically and then attached
to an ordinary AFM cantilever tip. The cantilever is used as a spatial
manipulator for the metal-nanoparticle scatterer in an AFM based
scattering scanning nearfield optical microscope set-up (s-SNOM). Using
these enhanced tips, we optically inspected anisotropic dielectrics
at mid IR frequencies. As a result, we obtain a considerably improved
confinement of the optical signal as demonstrated by tip/sample approach
curves and theoretical modelling. Our experimental findings
are in good agreement with our dipolar scattering theory.
O 77.6 (602) Thu 16:45 MA 041
Frequency Modulation Atomic Force Microscopy and Spectroscopy
on DPPC in Liquid — •Daniel Ebeling 1,2 , Hendrik
Hölscher 1,2 , and Boris Anczykowski 3 — 1 Center for Nanotechnology
(CeNTech), Heisenbergstr. 11, 48149 Münster — 2 Physikalisches
Institut, Wilhelm-Klemm-Str. 10, 48149 Münster — 3 nanoAnalytics
GmbH, Heisenbergstr. 11, 48149 Münster
The application of dynamic force spectroscopy in vacuum allows the
mapping of tip-sample forces down to the atomic-scale. However, it
has been shown that dynamic force spectroscopy works also in ambient
conditions [1] and liquids [2] enabling the precise measurement
of tip-sample forces. By adding a Q-Control electronics to the set-up
of the constant-excitation mode of the frequency-modulation atomic
force microscope we are able to increase the effective Q-factor of a selfoscillated
cantilever in liquid to values comparable to ambient conditions
[3]. During imaging of a DPPC bilayer on a mica substrate we
Thursday
observed an increased corrugation of the topography with increased
Q-factors. This effect is caused by the reduction of tip-sample indentation
forces [4]. Furthermore, dynamic force spectroscopy allows to
measure the tip-sample forces and can be used as a powerful tool to
determine the mechanical properties of the DPPC bilayer.
[1] H. Hölscher and B. Anczykowski. Surf. Sci. 579, 21 (2005).
[2] T. Uchihashi et al., Appl. Phys. Lett. 85, 3575 (2004).
[3] D. Ebeling, H. Hölscher, B. Anczykowski, Appl. Phys. Lett. 89,
203511 (2006).
[4] D. Ebeling and H. Hölscher, J. Appl. Phys (accepted).
O 77.7 (651) Thu 17:00 MA 041
Metal cross–substitution in the misfit layer compound
(PbS)1.13TaS2 — •Matthias Kalläne 1 , Hans Starnberg 2 , Kai
Roßnagel 1 , Martin Marczynski-Bühlow 1 , Sven Stoltz 2 , and
Lutz Kipp 1 — 1 Institute for Experimental and Applied Physics, University
of Kiel, D-24098 Kiel, Germany — 2 Department of Physics,
Göteborg University, SE-412 96 Göteborg, Sweden
Bonding in layered materials is a challenging problem because it includes
various types of interactions ranging from strong local covalent
bonds over electrostatic interactions to rather weak nonlocal van
der Waals forces. Consisting of alternatingly stacked slabs of hexagonally
ordered transition metal dichalcogenides (TMDCs) and cubic
monochalcogenides, the layered TMDC misfit compounds are hetero–
structures with a complex layer–to–layer interface due to the different
symmetries of the subsystems. Their incommensurability, the alternation
of different layers, and the occurrence of monochalcogen bilayers
all act against a low total energy. It is thus surprising that they
show such a remarkable stability. To investigate the nature of the
interlayer bonding, angle– as well as spatially–resolved photoelectron
spectroscopy measurements were performed on the layered misfit compound
(PbS)1.13TaS2. The results provide direct evidence for metal
cross–substitution between the layers which alters the charge balance
between alternating layers and can explain the remarkable stability of
misfit compounds.
Photoemission experiments were carried out at HASYLAB,
MAXLAB, and the ALS. Work supported by DFG FOR 353.
O 77.8 (360) Thu 17:15 MA 041
Plan view and UHV-cross-sectional STM of GaN structures
— •David Krüger, Thomas Schmidt, Stephan Figge, Detlef
Hommel, and Jens Falta — Institute of Solid State Physics, University
of Bremen, Germany
GaN-growth technology, though still mainly on sapphire substrates
today, will be more and more directed towards homoepitaxial growth.
Here, not only the polar c-plane of GaN is of interest, especially the
non-polar perpendicular planes (e.g. m-plane) may be of even greater
importance. XSTM investigations of GaN substrates cleaved under
UHV conditions have been untertaken to reveal structural properties
of their cross-sections. Moreover, STM-investigations of InGaN grown
on sapphire based c-plane GaN-templates will be presented.
O 78: SYSA: Tayloring Organic Interfaces: Molecular Structures and Applications VIII (Invited
Speaker: Tomasz Kowalewski; FV: DS+CPP+HL+O)
Time: Thursday 17:00–18:30 Location: H 2032
Invited talk and contributions
O 79: Invited Talk Stefan Tautz
Time: Thursday 17:45–18:30 Location: HE 101
Invited Talk O 79.1 (22) Thu 17:45 HE 101
Bonding, Structure and Function of Highly Ordered Molecular
Adsorbate Layers on Metal Surfaces — •Stefan Tautz —
Institut für Bio- und Nanosysteme 3, Forschungszentrum Jülich, 52425
Jülich
The adsorption of large π-conjugated organic molecules on solid surfaces
is attracting increasing interest, because it presents some fundamentally
new aspects compared to small molecule adsorption. Moreover,
molecular semiconductors have been developed to a point where
devices such as OLEDs and OFETs are feasible. In these devices, interfaces
between molecular phases and inorganic materials are important
functional elements, and hence an additional, technological interest to
study the adsorption of π-conjugated molecules has arisen.
In the present contribution, we focus on highly ordered organic adsorbate
layers as model systems and discuss selected aspects of their
bonding, structure and functional properties. The following issues are
addressed: (1) The bonding of π-conjugated molecules often involves
chemical contributions from different functional groups of the molecule.

Using a well-studied example molecule, the particular properties of
such bonds and their interplay are discussed. (2) Intermolecular interactions
have an important influence on the structure formation at
the interface, leading to complex phase behaviour, for which examples
are discussed. (3) Charge transport is the most relevant function
O 80: Invited Talk Hari Manoharan
Thursday
of organic semiconductors. Transport experiments through a singlemolecular
wire, contacted covalently with an STM tip and gated mechanically
by tip manipulation, demonstrate the strong influence of
the metal-molecule bond on the transport characteristics.
Time: Thursday 18:30–19:15 Location: HE 101
Invited Talk O 80.1 (15) Thu 18:30 HE 101
Imaging Quantum Phase Information Using Isospectral Electronic
Nanostructures — •Hari Manoharan — Department of
Physics, Stanford University, Stanford, CA 94305, USA
At the juncture of geometry and wave mechanics lurks a subtle yet
far-reaching spectral ambiguity. There exist drum-like manifolds that
resonate at identical frequencies but possess different shapes, making
it impossible to invert a measured spectrum of excitations into a
unique physical reality. An ongoing mathematical quest has recently
compacted this conundrum from higher dimensions to planar geometries.
Inspired by these isospectral domains, we introduce a class of
quantum nanostructures characterized by matching electronic structure
but divergent physical structure. We perform quantum measure-
ments (scanning tunneling spectroscopy) on these “quantum drums”
(degenerate two-dimensional electrons confined by individually positioned
molecules) to reveal that isospectrality provides an extra topological
degree of freedom enabling the reconstruction of complete electron
wavefunctions—including internal quantum phase information—
from measured single-eigenmode probability densities. These methods
are general and extensible to other nanostructures and fabrication
techniques.
In these experiments we utilize the exciting technology of atomic
and molecular manipulation: a custom-built scanning tunneling microscope,
operating at low temperature in ultrahigh vacuum, is used
to assemble nanostructures atom-by-atom to generate versatile quantum
laboratories at the spatial limit of condensed matter.
O 81: Poster Session IV - MA 141/144: SYMS II and SYEC III (Modern Developments in
Multiphysics Materials Simulations; Exact-Exchange and Hybrid Functionals Meet Quasiparticle
Energy Calculations)
Time: Thursday 18:30–19:30 Location: Poster F
See SYMS and SYEC for details about the program.
O 82: General Meeting of the Surface Science Division
Time: Thursday 19:30–20:00 Location: HE 101
Report of the Chairman of the DPG Surface Science Division
O 83: Post Deadline Session (followed by Surface Science Symposion)
Time: Thursday 20:00–21:00 Location: HE 101
4 contributed talks to be determined
O 84: Plenary Talk Wolfgang Kleemann
Time: Friday 8:30–9:15 Location: H 0105
Multiferroic and Magnetoelectric Materials
O 85: Prize Talk Hagen Kleinert (Max Born Prize)
Time: Friday 9:15–10:00 Location: H 0105
Multivalued Fields in Condensed Matter, Electrodynamics, and Gravitation
O 86: Oxides and Insulators: Adsorption II
Time: Friday 9:30–11:15 Location: MA 141
O 86.1 (358) Fri 9:30 MA 141
Water Adsorption on Fe3O4(001): A First Principles Study
— •Narasimham Mulakaluri 1 , Rossitza Pentcheva 1 , Wolfgang
Moritz 1 , and Matthias Scheffler 2 — 1 Section Crystallography,
Dept. for Earth and Environmental Sciences, University of Munich
— 2 Fritz-Haber-Institut der MPG, Berlin
The mode of adsorption of water (dissociative versus molecular) as
well as its effect on the structural and electronic properties of the
Fe3O4(001) surface is studied using density functional theory (DFT)
calculations with the FP-LAPW method in the WIENK2k implementation.
We vary the concentration of water and hydroxyl groups starting
from a single water molecule per ( √ 2× √ 2)R45 ◦ unit cell and compare
the surface stability of the different terminations as a function of
the O2 and H2O partial pressure within the framework of ab-initio

thermodynamics. Over a substantial range above the oxygen and water
poor conditions, a clean Jahn-Teller distorted bulk termination is
most favorable (modified B-layer) [1]. With increasing water pressure
a water monomer, parallel to the surface, and finally a fully hydroxylated
B-layer is stabilized. The calculations give indications of a lifting
of the ( √ 2 × √ 2)R45 ◦ -reconstruction upon hydroxylation, consistent
with low energy electron diffraction (LEED) measurements.
[1] R. Pentcheva et al., Phys. Rev. Lett. 94,126101 (2005).
O 86.2 (452) Fri 9:45 MA 141
Water adsorption at low-indices (001) and (100) V2O5 surfaces.
Cluster DFT studies. — Pawel Hejduk and •Malgorzata
Witko — Institute of Catalysis and Surface Chemistry, PAS, Krakow,
Poland
Vanadia-based materials are well known as the catalysts for numerous
number of different chemical processes, as a consequence of an existence
of non-equivalent active centers, both O and V types, localized
on various faces of the catalyst crystal. Dependently on the preparation
technique the V2O5 crystals can expose different surfaces, where
the low-indices faces like (010), (001) and (100) are the most common.
The (010) face is built of fully saturated V and O sites, whereas both
(001) and (100) surfaces of unsaturated V and O surface atoms. Thus,
the faces built of unsaturated character should behave differently in
catalytic reactions compared to the (010) surface and an adsorption of
small molecules should be enhanced.
In the present study water adsorption at the unsaturated surfaces
is examined using cluster DFT approach. In addition a comparison
with respect to saturated (010) surface is done. Results of calculations
show that water molecule stabilizes at unsaturated surfaces due to the
interaction of lone electron pair from O (from water) and unoccupied
3d states of vanadium. Upon adsorption, with low dissociation energy,
water can dissociate and two hydroxyl groups are formed V(surface)-
OH and O(surface)-H. It is in contrast to the (010) surface where water
molecule undergo stabilization but only due to weak hydrogen bonding
and its dissociation does not occur.
O 86.3 (453) Fri 10:00 MA 141
Electronic properties of the active sites present at the
(011)MoO2 surface. Periodic and cluster DFT quantum
chemical studies. — •Renata Tokarz-Sobieraj 1 , Malgorzata
Witko 1 , and Robert Grybos 2 — 1 Institute of Catalysis and Surface
Chemistry PAS, Niezapominajek 8, 30-239 Krakow, Poland —
2 Faculty of Physics and Center for Computational Materials Science,
Universitaet Wien, Sensengasse 8, A-1090 Wien, Austria
DFT method is applied to describe electronic structure of catalytically
important (011) surface of molybdenum dioxide. MoO2 exists in literature
mainly as a product of MoO3 reduction; however the problem
of its role in catalytic process is still unsolved. In present paper attention
is focused on the properties of surface active sites, both Mo and O,
which are present at the selected (011) surface. In addition, comparison
of (011)MoO2 and (100)MoO3 surfaces is carried out due to a fact
that both surfaces contain not only the differently coordinated O sites
but also the bare Mo centers. The electronic structure of studied systems
is calculated using both periodic (VASP code) and cluster (StoBe
code) approaches with gradient corrected functional. Local properties
of different surface sites that are exposed at both surfaces are examined
by means of charge densities, bond orders indices and molecular orbital
diagrams whereas the global properties of both surfaces are discussed
by density of states. The differences (existence of pairs of metallic
sites on (011)MoO2 surface) and similarities (electronic states of bare
Mo ions in both surfaces) in electronic properties of active sites are
investigated taking adsorption of hydrogen and oxygen as examples.
O 86.4 (250) Fri 10:15 MA 141
Wavefunction-based ab-initio results for the adsorption of CO
on Ceria (110) surface — Carsten Müller 1 , Björn Herschend 1 ,
•Beate Paulus 2 , and Kersti Hermansson 1 — 1 Department of Materials
Chemistry, Uppsala University, Lägerhyddsvägen 1, 75121 Uppsala,
Sweden — 2 Physikalische und Theoretische Chemie, Freie Universität
Berlin, Takustr. 3, 14195 Berlin
For the ab-initio description of the adsorption process on surfaces it
is necessary to model all interactions on the same theoretical footing.
The standard density functional methods have their difficulties
Friday
with describing dispersion forces. But especially for the physisorption,
where no covalent bonds are formed between the adsorbant and the
surface these interactions are essential. They can only well described
with wavefunction based correlation methods. With the method of increments
[1] it is possible to apply these methods to extended systems.
Here we want to present the first application to an adsorption process.
As example we have chosen CO on ceria 110 surface. The idea is to
partition the correlation part of the adsorption energy according to
localized orbital groups of the adsorbant and the individual atoms in
the surface. The main part of the binding are the correlation energies
of the absorbant with the different atoms of the surface. Therefore,
with the method of increments it is not only possible to yield highly
accurate results for the adsorption energy, but also gain information
about the individual contributions to the adsorption.
[1] B. Paulus, Phys. Rep. 428, 1 (2006).
O 86.5 (673) Fri 10:30 MA 141
The thermal behavior of H in O-ZnO(000-1) subsurface: a
HREELS study — •Hengshan Qiu, Yuemin Wang, and Christof
Wöll — Lehrstuhl für Physikalische Chemie I, Ruhr-Universität
Bochum, 44780 Bochum, Germany
The presence of H adatoms has pronounced effects on the structure
and chemical properties of metal oxide surfaces [1]. The structure
and stabilization mechanisms of the polar O-terminated ZnO(000-1)
surface are still under discussion [2]. In this work, the interaction
of atomic hydrogen with the O-ZnO(000-1) surface was studied using
high-resolution electron energy loss spectroscopy (HREELS), thermal
desorption spectroscopy (TDS) and low-energy electron diffraction
(LEED). It is found that the clean, H-free O-ZnO surface exhibits a
(1*3) reconstruction with one third of the surface O atoms missing,
in good agreement with the results obtained by He-atom scattering
(HAS)[2]. Adsorption of atomic H (or H2O) at room temperature converts
the (1*3) reconstruction to (1*1) with formation of OH species.
In addition, The HREELS data reveal that exposing the clean O-ZnO
surface to atomic hydrogen leads to a significant broadening of the incoherent
elastic peak, indicating a surface metallization as determined
on the ZnO(10-10) surface [3]. The metallization is induced by hydrogen
adsorbed in subsurface. Upon heating these H atoms -instead of
recombinative desorption- undergo migration into the bulk.
[1] Ch. Wöll, J. Phys. Condens. Matter. 16 (2004) 2981. [2]
Ch.Wöll, Prog. Surf. Sci. 82 (2007) 55. [3] Y. Wang, et al., Phys.
Rev. Lett. 95 (2005) 266104.
O 86.6 (562) Fri 10:45 MA 141
Single adatom adsorption on SiO2 thin films — •Stefan Ulrich,
Niklas Nilius, and Hans-Joachim Freund — Fritz-Haber-
Institut, Berlin, Germany
The contribution discusses the unusual adsorption characteristic of a
thin SiO2 film grown on Mo(112), which strongly depends on the geometric
size of the adsorbates. The SiO2 layer consists of a network
of -Si-O- hexagons exposing nano-pores with 3-4 Angstrom diameter.
As revealed from low-temperature STM measurements, Pd adatoms
penetrate this opening with nearly no barrier and bind strongly to the
Mo-SiO2 interface. Au atoms on the other hand are too big and adsorb
only at line defects in the oxide surface, where larger pores are exposed.
The electronic properties of the adatoms and their interaction with the
SiO2 support are deduced from tunneling spectroscopy.
O 86.7 (578) Fri 11:00 MA 141
Self-Organization of MgPc Molecules on FeO Thin Films —
•Xiao Lin and Niklas Nilius — Fritz-Haber-Institut, Berlin, Germany
The spatial arrangement of Magnesium Phthalocyanine (MgPc) has
been investigated on FeO films grown on Pt(111) with low-temperature
STM and STS. The polar oxide film forms a coincidence lattice with
the Pt support and exhibits a surface dipole between the Fe(+) / O(-)
layers that varies within the Moiré unit cell. The MgPc molecules preferentially
adsorb on regions with large dipole strength. The rotational
orientation of the molecules, on the other hand, is determined by their
interaction with the atomic Fe-O lattice. The influence of the different
binding configurations on the electronic structure of MgPc is revealed
from spectroscopic investigations.

O 87: Symposium: Beyond Optical Wavelengths: Time-Resolved Spectroscopy of Surface
Dynamics with EUV and XUV Radiation III (Invited Speakers: Christian Spielmann, Matias
Bargheer, Philippe Wernet)
Friday
Time: Friday 9:30–12:00 Location: HE 101
O 87.1 (74) Fri 9:30 HE 101
Time-resolved x-ray absorption spectroscopy with sub-20fs
resolution — •Christian Spielmann — Physikalisches Institut EP1
Universität Würzburg, Würzburg, Germany
The development of reliable femtosecond solid-state laser brought new
possibilities into time-resolved spectroscopy. For the first time it became
possible monitoring the nuclear motion of molecules, crystal lattices
and other out-of-equilibrium structures. However, usually it is
very difficult to map the experimental observations to the structural
dynamics. Therefore, experimental approaches are needed that can
overcome the limitation of optical studies for structural determination,
while the high temporal resolution of femtosecond lasers is maintained.
Structural techniques such as x-ray diffraction (XRD) or x-ray absorption
spectroscopy (XAS) deliver much more direct information about
the structure. In this contribution we report on the optimized generation
of sub-20fs x-ray pulses via high harmonic generation (HHG)
resulting in an extension of the cut-off to nearly 3 keV. The x-ray radiation
is intense enough over a broad energy range opening the way to
time-resolved EXAFS (extended x-ray absorption fine structure). In
a first proof-of principle experiment we followed structural changes in
Silicon after excitation with an intense laser pulses. From the subsequent
temporal evolution of the absorption spectrum far above the L
and K-absorption edge, we gained direct information about the atomic
motion. The observed dynamic is in good agreement with previous alloptical
measurements.
O 87.2 (619) Fri 10:00 HE 101
Direct observation of lattice dynamics by femtosecond x-ray
diffraction — •Matias Bargheer — Institut für Physik, Uni Potsdam,
Am Neuen Palais 10, 14469 Potsdam — Max-Born-Institut, Max-
Born-Str. 2a, 14489 Berlin
The ultrafast photoinduced lattice dynamics of hybrid nanolayers composed
of oxides with perovskite crystal structure is investigated by
femtosecond x-ray diffraction, using a laser-based table-top hard-x-ray
plasma source. The coupling of the optically excited electrons in metallic
layers to optical phonon modes and the directed phonon-phonon
coupling to particular modes is unravelled by directly observing the
lattice motion in real time with sub-picosecond time resolution and
sub-picometer accuracy of the structural information. In particular,
the photoassisted ultrafast manipulation of ferroelectric polarization
by switching giant strain in the GPa range is demonstrated.
O 87.3 (436) Fri 10:30 HE 101
Toward Imaging Ultrafast Evolution on the Nanoscale —
•William Schlotter 1,2 , Ramon Rick 2 , Andreas Scherz 2 , Stefan
Eisebitt 3 , Christian Günther 3 , Wolfgang Eberhardt 3 , Olav
Hellwig 4 , Jan Lüning 5 , and Joachim Stöhr 2 — 1 Institut für Experimentalphysik
Universität Hamburg, Hamburg, Germany — 2 Stanford
Synchrotron Radiation Laboratory, SLAC, Menlo Park, California,
USA. — 3 BESSY m.b.H., Berlin, Germany — 4 San Jose Research Center,
Hitachi Global Storage Technologies, San Jose, California, USA —
5 LCP-MR Université Pierre et Marie Curie, Paris, France.
Panoramic full field imaging with nanoscale resolution is demonstrated
with soft x-ray Fourier transform holography. To extend the effective
field of view, multiple regions of interest distributed about the sample
are strategically paired with a holographic reference wave. In this way,
images of each local region are simultaneously reconstructed without
compromising spatial resolution. Using a nanoscale test structure fabricated
by focused ion beam lithography we image four local regions
on the sample spanning 180 µm with sub 100 nm spatial resolution.
Applying this holographic method to a cross-beam pump probe geometry,
a technique is proposed for capturing multiple ultrafast images
of a sample with a single x-ray pulse. In a cross-beam experimental
geometry temporal phenomena are captured with respect to spatial
position, and thus higher spatial resolution translates to faster dynamics.
In this way the high spatial resolution and full field capabilities
of holography are exploited to encode temporal information in a hologram,
which could be recorded with a single pulse.
O 87.4 (107) Fri 10:45 HE 101
Surface High Harmonic Generation: A route to ultra-intense
attosecond pulses — •Rainer Hörlein 1,2 , Yutaka Nomura 1 ,
Brendan Dromey 3 , Paraskevas Tzallas 4 , Jens Osterhoff 1 ,
Zsuzsanna Major 1,2 , Stefan Karsch 1 , Dimitris Charalambidis 4 ,
Matthew Zepf 3 , Ferenc Krausz 1,2 , and George D. Tsakiris 1
— 1 Max-Planck-Institut für Quantenoptik, Hans-Kopfermann-Str.
1, 85748 Garching, Germany — 2 Fakultät für Physik, Ludwig-
Maximilians-Universität München, Am Coulombwall 1, 85748 Garching,
Germany — 3 Department of Physics and Astronomy, Queen’s
University Belfast BT7 1NN, UK — 4 Foundation for Research and
Technology Hellas, Institute of Electronic Structure and Laser, Heraklion
Crete
High harmonic generation from solid surfaces (SHHG) constitutes a
route towards generating very high harmonics (HH) and ultra intense
attosecond pulses. In contrast to the generation of high harmonics
from gases the SHHG mechanism is not limited in the laser intensity
that can be used. On the contrary, the conversion efficiency and harmonic
cutoff scale very favorably with driving laser intensity.
We present recent experimental results on the generation and characterization
of HH radiation from solid targets. We present, amongst
others, the generation of diffraction limited harmonic beams at 40nm
and show our progress towards the temporal characterization of HHs
from surfaces.
We also present an outlook towards possible applications of surface
HHs as ultra-intense attosecond XUV probe beams for experiments.
O 87.5 (719) Fri 11:00 HE 101
Femtosecond photoelectron spectroscopy with high-order
laser harmonics at photon energies of above 20 eV — •Philippe
Wernet, Kai Godehusen, Jerome Gaudin, Olaf Schwarzkopf,
and Wolfgang Eberhardt — BESSY, Albert-Einstein-Strasse 15,
D-12489 Berlin, Germany
Both bonding and structure of matter change at the atomic level and
on ultrafast time scales during chemical reactions. The combination of
x-ray spectroscopy, linking electronic and geometric structures, with
the recently available short-pulse x-ray sources promises unprecedented
access to the ultrafast dynamics in matter. We use high-order harmonics
of a femtosecond (fs) laser as a source of fs vacuum ultra violet
(VUV) pulses for time-resolved photoelectron spectroscopy. With a
stable, reliable source for spectroscopy in mind different ways of generation,
monochromatization and focussing of fs VUV pulses will be
discussed. Our recent results on the electronic structure of gas phase
Br2 during dissociation will be used as a benchmark test. Laser pulses
(400 nm) were used to excite the molecules to a dissociative state
and the delayed VUV (53 nm wavelength) probe pulses ionized the
molecules (overall temporal resolution 140 fs). Changes of the valence
band spectrum indicate ultrafast breaking of the chemical bonds and
rearrangements of the valence electronic structure are monitored all
the way from the excited molecules into separate atoms.
O 87.6 (114) Fri 11:30 HE 101
Structure and Dynamics of Free Nanoparticles studied by
XUV Radiation — •Eckart Rühl — Physikalische und Theoretische
Chemie, Freie Universität Berlin, Takustr. 3, 14195 Berlin, Germany
Recent progress on experiments using free nanoparticles is reviewed,
where the perspectives on ultrafast processes are focus of the presentation.
The targets come preferentially from colloidal chemistry
approaches that allow one the preparation of structured nanoscopic
objects of well-defined size-dependent properties. These nanoparticles
are transferred from the liquid phase via an aerodynamically focused
nanoparticle beam into a high vacuum surroundings, where the structural
and dynamical properties of single nanoparticles are probed. This
approach is complementary to studies on single, trapped nanoparticles.
Results and perspectives involving XUV sources, such as synchrotron
radiation, free electron laser radiation, as well as short pulse lasers in
combination with higher harmonics and laser-produced plasma radiation
are discussed along with proper detection techniques, including

velocity map imaging of photoelectrons and elastic light scattering.
Perspectives on attosecond dynamics involving free nanoparticles are
briefly discussed.
O 87.7 (117) Fri 11:45 HE 101
Ultrafast Phase Transitions in Metastable Water Near Liquid
Interfaces — •Bernd Abel — Institut fuer Physikalische Chemie,
Universitaet Goettingen, Tammannstr. 6, 37077 Goettingen, Germany
Liquid-gas phase transitions in water are an everyday occurrence, however,
phase transitions of metastable superheated water are hardly understood
so far despite their importance in many technical processes.
By using short laser pulses to deposit heat at a rate faster than the
thermal expansion rate, it is possible to prepare extreme states of
Friday
matter at temperatures well above the normal boiling point. Electron
spectroscopy for chemical analysis (ESCA) is a powerful tool for the
quantitative analysis of the composition and the chemical environment
of molecular systems. Employing high harmonics soft X-ray (50 eV)
and near infrared femtosecond pulses and liquid water microbeams
in vacuum we were able to add the dimension of time to the liquid
interface ESCA technique. Tracing time dependent chemical shifts,
electron orbitals and *energies of valence electrons in liquid water in
time, we have investigated the timescale and molecular signature of
laser induced phase transitions of metastable water on a femto- and
picosecond timescale. The time-resolved data have been compared
and analyzed with quantum chemistry and molecular dynamics calculations.
O 88: Metallic Nanostructures II (on Semiconductors)
Time: Friday 9:30–12:30 Location: MA 005
O 88.1 (593) Fri 9:30 MA 005
Interactions Between Ag Nanoclusters on Carburized W(110)
— •Magdalena Bachmann, Martin Gabl, Norbert Memmel, and
Erminald Bertel — Institute of Physical Chemistry, University of
Innbruck, A-6020 Innsbruck, Austria
Silver nanoclusters arranged in quasi-one dimensional chains were prepared
on the R(15x12)-C/W(110) surface. Evidence is presented that
these silver cluster chains form thermodynamic equilibrium structures.
We address the question of possible interactions between neighbouring
clusters by studying the length distributions of silver cluster chains
with scanning tunnelling microscopy. Data are compared with theoretical
expectations for various cluster-cluster interaction strengths.
Best agreement between theory and experiment is obtained for a nonvanishing,
slightly repulsive interaction energy of 14 +- 10 meV, despite
the rather large cluster distance of 1.4 nm.
O 88.2 (454) Fri 9:45 MA 005
Faceted silver clusters on HOPG and their stability — •Niklas
Grönhagen, Farhad Ghaleh, and Heinz Hövel — Technische Universität
Dortmund, Experimentelle Physik I, 44221 Dortmund
Silver clusters are interesting objects due to their optical and electronic
properties. Close to the Fermi level silver is a nearly free electron
metal where the electron delocalization leads to strongly cluster
size dependent states [1]. However, the influence of the d-electrons is
not negligible, e.g. for the optical properties of the clusters [2]. This
interesting electronic structure is combined with a moderate chemical
reactivity, which may be the reason why silver is used in many of the
experiments for clusters on surfaces.
In the present study we produce faceted silver clusters by depositing
silver atoms on HOPG samples, prestructured with nanometer sized
pits [3,4]. Subsequently the clusters are investigated with STM. In
these experiments we observe different shapes of the cluster facets as
well as discrete cluster heights. Furthermore we investigate the clusters
in terms of stability in different environments, e.g. air, bad vacuum or
after STM-tip interaction.
[1] H. Hövel, B.Grimm, M. Bödecker, K. Fieger, B. Reihl: Surf. Sci.
463, L603 (2000)
[2] U. Kreibig, M. Vollmer, Optical properties of Metal Clusters:
Springer Tracts in Materials Science 25 (Springer-Verlag, 1995)
[3] H. Hövel, Appl. Phys. A 72, 295 (2001)
[4] F. Ghaleh, R. Köster, H. Hövel, L. Bruchhaus, S. Bauerdick, J.
Thiel, R. Jede: J. Appl. Phys. 101, 044301 (2007)
O 88.3 (219) Fri 10:00 MA 005
Anisotropic Photoemission from Faceted Au Clusters on
Graphite — •Ingo Barke 1 , Heinz Hövel 2 , Farhad Ghaleh 2 ,
Richard C. Hatch 3 , and Hartmut Höchst 3 — 1 Universität Rostock,
Universitätsplatz 3, D-18051 Rostock — 2 Technische Universität
Dortmund, Otto-Hahn-Str. 4, D-44221 Dortmund — 3 Synchrotron
Radiation Center, 3731 Schneider Dr., Stoughton, WI 53589, USA
Quantized Shockley surface states have been observed on hexagonal
facets of large Au clusters by means of scanning tunneling spectroscopy
[1] and photoelectron spectroscopy [2]. Here we report on recent results
obtained by angle resolved photoelectron spectroscopy (ARPES)
with synchrotron radiation at the Synchrotron Radiation Center in
Stoughton, WI (USA). Optimized preparation parameters resulted in
narrow size distributions which allow for the direct observation of the
size-dependent peak distance of quantized states. Angle resolved spectra
reveal another striking difference between cluster facets and the
bulk surface: we observe an unexpected asymmetry of emission intensity
with respect to the emission angle which is very sensitive to the
photon energy. With a suppression of almost 100% for one of the two
branches of the parabolic dispersion this effect is much stronger and
of opposite sign compared to the bulk Au(111) surface state.
[1] I. Barke, H. Hövel, Phys. Rev. Lett. 90, 166801 (2003).
[2] H. Hövel, I. Barke, Prog. Surf. Sci. 81, 53 (2006).
O 88.4 (482) Fri 10:15 MA 005
Enhanced Bonding of Gold Nanoparticles on Oxidized
TiO2(110) — •Stefan Wendt, Daniel Matthey, Jianguo
Wang, Jesper Matthiesen, Renald Schaub, Erik Laegsgaard,
Bjørk Hammer, and Flemming Besenbacher — Interdisciplinary
Nanoscience Center (iNANO), and Department of Physics and Astronomy,
University of Aarhus, DK-8000 Aarhus C, Denmark
We studied the nucleation of gold clusters on TiO2(110) surfaces in
three different oxidation states by high-resolution scanning tunneling
microscopy (STM). The three TiO2(110) supports chosen were (i) reduced
having bridging oxygen vacancies, (ii) hydrated having bridging
hydroxyl groups, and (iii) oxidized having oxygen ad-atoms. At room
temperature gold clusters nucleate homogeneously on the terraces of
the reduced and oxidized supports, whereas on the hydrated TiO2(110)
surface clusters form preferentially at the step edges [1]. From interplay
with density functional theory (DFT) calculations, we identified
two different gold-TiO2(110) adhesion mechanisms for the reduced and
oxidized supports. The adhesion of gold clusters is strongest on the
oxidized support, and the implications of this finding for catalytic applications
are discussed.
[1] Matthey, D.; Wang, J. G.; Wendt, S.; Matthiesen, J.; Schaub,
R.; Laegsgaard, E.; Hammer, B.; Besenbacher, F., Science, 315, 1692
(2007).
O 88.5 (541) Fri 10:30 MA 005
Aluminum oxide on Ni3Al(111). A Template for Ordered
Fe and Co Cluster Growth — •Andreas Buchsbaum 1 , Micheal
Schmid 1 , Georg Kresse 2 , and Peter Varga 1 — 1 Inst. f. Allg.
Physik, TU Wien, Austria — 2 Faculty of Physics, CMS, University of
Vienna, Austria
The structure of the aluminum oxide on Ni3Al(111), which has been
solved recently, exhibits holes at the corner of the ( √ 67 × √ 67) R12.2 ◦
unit cell, reaching down to the metal substrate [1]. These holes are
large enough to trap atoms of any kind of metal. Therefore, the ultrathin
oxide film, forming a nanomesh, should be a perfect template for
growing highly regular arranged metal clusters. Several metals have
been deposited on the aluminum oxide and the clusters grown have
been studied by scanning tunneling microscopy. The unmodified oxide,
however, is not a good template for most metals. While Pd atoms
nucleate in the corner holes and, hence, show a perfect hexagonal arrangement,
Fe and Co clusters grow on other local defects, indicating a
barrier to jump into the hole. By predeposition of a Pd seed layer, however,
we can create a metallic nucleation site on each corner hole and
Fe as well as Co clusters form a well-ordered hexagonal arrangement,
making the oxide to a versatile template for growing highly regular

arranged metal clusters [1]. We have also studied the morphology of
the clusters and applied different methods to determine the orientation
of the clusters. We have found different types of clusters, where only
few of them show flat close-packed facets on top.
[1] M.Schmid et al., Phys. Rev. Lett. 99, 196104 (2007).
O 88.6 (409) Fri 10:45 MA 005
Boron nitride nanomesh: an ultrathin insulating template
— •Ivan Brihuega, Christian H Michaelis, Jiang Zhang, Sangita
Bose, Violetta Sessi, Jan Honolka, Alexander M Schneider,
Axel Enders, and Klaus Kern — Max-Planck-Institut für
Festkörperforschung, Heisenbergstrasse 1, D-70569 Stuttgart, Germany
A key challenge in nanotechnology is the search of new materials suitable
to act as nanoscale templates and also the growth of ultrathin
insulating layers on metal surfaces which can be used to electronically
decouple adsorbates from the substrate. Great success has been
obtained in the formation of materials with templating or insulating
capabilities, however, the combination of both abilities in the same
system has not been yet achieved. In this work we show that the
recently discovered BN nanomesh [1] combines both properties: templating
at the nanoscale and electronic decoupling from the substrate.
By covering the Rh(111) surface only partially with the Boron Nitride
(BN) nanomesh, we have been able to directly compare the electronic
properties of the BN nanomesh with the ones of the bare metal. Our
low temperature scanning tunneling microscopy and spectroscopy experiments
show that the BN nanomesh acts both as a nanotemplate,
laterally ordering Co clusters deposited on it with a nearest neighbor
distance of 3.2 nm, and as an insulator, electronically decoupling the
clusters from the metal substrate.
[1] Corso, M. et al. Science 303, 217 (2004).
O 88.7 (570) Fri 11:00 MA 005
Optical properties of single Mg particles on MgO thin films
— •Philipp Myrach, Hadj Mohamed Benia, Niklas Nilius, and
Hans-Joachim Freund — Fritz-Haber-Institut, Berlin, Germany
Light emission spectroscopy with an STM is employed to study the
optical properties of single Mg particles grown on 5-10 ML thick MgO
films on Mo(001). The particles exhibit distinct rectangular shapes
with edges that align with the close-packed O rows of the oxide support.
Luminescence spectra taken in the field emission regime (U>40
V) reveal a photon peak at 550 nm in addition to the well-known
exciton emission of bare MgO at 400 nm. A similar emission peak
is detected in the tunneling mode (U

Electroplated copper has become the method of choice for filling narrow
interconnect features for microelectronics applications in one processing
step. However, as the trench width decreases, the influence
of the physical-vapour deposited (PVD) seed layer becomes more important.
Due to changes in the growth dynamics the volume fraction
of the PVD copper rises significantly compared with the ECD copper.
Therefore we focused our interest on understanding the grain
growth mechanism in thin PVD copper films and its differences from
O 89: Metal Substrates: Epitaxy and Growth
Friday
the growth dynamics in ECD copper structures and films. For that
reason we analyzed the grain size and crystallographic orientation by
electron backscatter diffraction (EBSD) and X-ray diffraction. Both
techniques indicate a strong (111) texture. The grain structure of the
Cu line in the trenches may differ considerably from that of blanket
films. Grain size of copper within the trenches is affected by size constraints
Cu. In narrow lines we find more small grains than in wider
lines, suggesting that the grain structure depends on the line geometry.
Time: Friday 9:30–12:30 Location: MA 041
O 89.1 (56) Fri 9:30 MA 041
Real time observation of multiphoton photoemission and surface
second harmonic generation during the growth of Fe on
Cu(001) — •Cheng-Tien Chiang, Aimo Winkelmann, and Jürgen
Kirschner — Max-Planck-Institut für Mikrostrukturphysik, Weinberg
2, D-06120 Halle(Saale), Germany
We observed simultaneously the multiphoton photoemission and second
harmonic generation (SHG) at 3.1 eV incident photon energy during
the growth of Fe on Cu(001). The well-known intensity variations
observable in medium energy electron diffraction measurements
of Fe/Cu(001) were correlated with the variations of the SHG signal.
Using SHG as a reference, we assign the different phases of the Fe
growth to the observed photoemission spectra. With this approach,
we obtain the work function variations as a function of film thickness
from the photoemission spectra. For the first 4 monolayers (ML) of
Fe deposited on Cu(001), a non-monotonic variation of the work function
is observed, with a decrease of 0.14 eV for 1 ML Fe. This value
is consistent with theoretical calculations [1]. In correspondence to
the work function variations, a resonant three-photon photoemission
(3PP) feature oscillates in intensity as a result of the fixed relationship
between the vacuum level and an intermediate image potential state.
From the exponentially decaying part of 3PP signal we can estimate
the inelastic mean free path of electrons with kinetic energy of 4 eV
above the Fermi level to be about 10˚A.
[1] S. Achilli et al., J. Phys.:Condens. Matter 19, 305021 (2007)
O 89.2 (83) Fri 9:45 MA 041
The buried Ni/Cu(001) interface at the atomic scale —
•Holger L. Meyerheim 1 , Dirk Sander 1 , Nikolay Negulyaev 1 , Valeri
S. Stepanyuk 1 , Radian Popescu 1 , Iona Popa 2 , and Jürgen
Kirschner 1 — 1 MPI-Halle, Weinberg 2, D-06120 Halle (Germany) —
2 ESRF, BP 220, F-38043 Grenoble (France)
We present a combined surface x-ray diffraction and theoretical analysis
of the buried Ni/Cu(001) interface structure after deposition of
3 and 5 monolayers of Ni at room temperature. Highly accurate reflection
intensities along the integer order crystal truncation rods were
collected at the beamline ID3 of the ESRF in Grenoble (France). The
analysis reveals interface mixing where 27±10% of top layer Cu-atoms
are exchanged by Ni. In addition, a 0.13 ˚A inward relaxation of top
layer Ni-atoms is determined. Atomic scale simulations reveal a kinetic
pathway for the Ni/Cu-exchange process and explain the observed limited
degree of intermixing. A disperse distribution of Ni within the Cu
surface with a preferential Ni-Ni separation of 3-4 nearest neighbor
distances is found [activation energy for exchange (Eb) equal to 0.65
eV]. Intermixing is spatially confined to two atomic layers adjacent to
the interface in agreement with experiment. The calculations also provide
an explanation for the markedly different behavior of intermixing
reported for Fe-Cu(001)interface, where Fe forms embedded clusters
in the Cu surface [1].
[1] D.D. Chambliss and K.E. Johnson, Phys, Rev. B 50, 5012 (1993)
O 89.3 (478) Fri 10:00 MA 041
SXRD study at both sides of a temperature induced surface
phase transition on Sn/Cu(001) — •jesus martinez-blanco 1 ,
victor joco 2 , carlos quiros 3 , pilar segovia 2 , and enrique g
michel 2 — 1 Fritz Haber Institut, Berlin, Germany — 2 Universidad
Autonoma de Madrid, Spain — 3 Universidad de Oviedo, Spain
The crystalline structure of 0.5 monolayer of Sn atoms adsorbed on
Cu(001) has been studied by surface X-ray diffraction (SXRD) measurements.
This surface undergoes a temperature-induced phase transition
at 360 K from a single domain ( √ 2 × √ 2)R45 ◦ phase at high
temperature to a two rotated domains (3 √ 2 × √ 2)R45 ◦ phase at low
temperature. A full data set including in-plane reflections, superstructure
rods and crystal truncation rods was measured for each phase.
The optimization method employed for fitting the experimental data
for both the high and low temperature phases is a type of genetic algorithm
called Differential Evolution, used in this work for the first time
to extract crystallographic information from SXRD data. For the low
temperature phase, our results confirm the removing of every third row
of copper in the alloyed top layer. For the high temperature phase,
the overall dependence of the measured structure factors with the perpendicular
momentum transfer is similar to the values extracted from
the low temperature phase, suggesting a disordered nature for the high
temperature phase. We propose a detailed model for this phase and for
the nature of the thermal induced disorder. We discuss possible mechanisms
to keep the local structure across the phase transition and the
nature of the high temperature disordered phase.
O 89.4 (337) Fri 10:15 MA 041
Ripple growth and - orientation during grazing incidence
deposition of Cu/Cu(001) — •Herbert Wormeester, Frits
Rabbering, Georgiana Stoian, Raoul van Gastel, and Bene
Poelsema — Solid State Physics, MESA+ Institute for Nanotechnology,
University of Twente, The Netherlands
We have studied the consequences of oblique incidence deposition
for the morphology of the growth-front for a ”prototypical”system
Cu/Cu(001). Previous electron diffraction measurements showed that
deposition at grazing incidence leads to the evolution of ripples, oriented
perpendicular to the plane of incidence of the atom beam. New
experimental results with high resolution low energy electron diffraction
and STM will be presented. The ripple formation has also been
studied with kMC simulations, which support and predicted experimentally
observed changes in ripple orientation at later stages in
growth. The relevant activation barriers for intra- and interlayer diffusion
processes in these simulations have been tuned to describe quantitatively(!)
experimentally observed morphologies in a wide range of
temperatures (150-300 K) and coverages (up to 40 ML). A change in
ripple orientation from perpendicular to parallel to the plane of incidence
has been detected around a coverage of 40 ML at a temperature
of 250K and a polar deposition angle of 80 ◦ . At 230K and at more
grazing incidence this orientation transition has been found to occur
at a much earlier stages in growth. This change in ripple orientation
is related to the Super Poisson roughening of the growth front.
O 89.5 (380) Fri 10:30 MA 041
Initial growth of Cu on Cu(001) by in-situ pulsed laser deposition
at low temperatures — •Andreas Dobler and Thomas
Fauster — Lehrstuhl für Festkörperphysik, Universität Erlangen-
Nürnberg, Staudtstr. 7, 91058 Erlangen
In previous studies we have characterized the initial growth of Cu on
Cu(001) by pulsed-laser deposition (PLD) near room temperature by
scanning tunneling microscopy (STM). In order to extend the temperature
range to lower temperatures, we designed a setup which permits
direct deposition onto the sample in the STM at pressures of
1.5 × 10 −10 mbar. The distance between the ablation target and the
sample is 270 mm and the incidence angle is 60 ◦ relative to the sample
normal. The deposition rate is 2.5 × 10 −5 atomic layers per pulse at a
fluence of 3.5 J/cm 2 .
We present first results on the initial growth of Cu on Cu(001) using
the in-situ PLD setup. At the large incidence angle, sputtering
holes appear on the surface due to the high kinetic energies of the deposited
particles. We analyzed the densities of monolayer and vacancy

islands at different temperatures and laser fluences and compared the
results to thermal deposition measurements at identical conditions.
Self-sputtering can be reduced by lowering the fluence and applying a
magnetic field which eliminates ions of the ablation plume.
O 89.6 (545) Fri 10:45 MA 041
What causes the high island densities in pulsed laser deposition?
— Georg Rauchbauer, Florian Wimmer, Andreas Buchsbaum,
Gerhard Betz, Peter Varga, and •Michael Schmid — Inst.
f. Allg. Physik, TU Wien, Österreich
Pulsed laser deposition (PLD) is a method for growing thin films
that combines nonthermal particle energies (typically 30 to 200 eV)
with ultrahigh-vacuum compatibility. Compared to thermal deposition,
PLD-grown films show a significantly higher island density and
improved layer-by-layer growth. These features were attributed to either
the high instantaneous particle flux or the high particle energies.
Using scanning tunneling microscopy (STM), we have studied the nucleation
and growth of Pt and Co on Pt(111) by PLD and we show that
the high particle flux is not sufficient to explain the island densities
observed. Experiments at low temperature, where adatom motion is
frozen, and molecular dynamics simulations show that particle energies
of ≈ 100 eV are sufficient to create small adatom clusters by “failed
sputtering”. These clusters serve as nucleation centers and explain the
differences between thermal deposition and PLD. We propose that the
same mechanism is effective in sputter deposition.
O 89.7 (690) Fri 11:00 MA 041
Double layer growth of Ru on Pt(111) - the contributions
of strain and metal-metal bonds — •Petra M. Erne 1 , András
Berkó 1,2 , Andreas Bergbreiter 1 , Harry E. Hoster 1 , and R.
Jürgen Behm 1 — 1 Institute of Surface Chemistry and Catalysis, Ulm
University, D-89069 Ulm, Germany — 2 Permanent Adress: Institute of
Surface Chemistry and Catalysis, University of Szeged, H-6701-Szeged,
Dóm tér 7, Hungary
As found in previous STM-studies, vapor deposition of Ru onto Pt(111)
leads to the formation of double layer islands of rather small lateral
dimensions [1,2], similar to the behavior reported for Co/Cu(111) [3].
In order to clarify wether this behavior is mainly due to the lattice mismatch
between Pt(111) and the hexagonally packed Ru(0001) surface,
or wether the main reason is a much stronger local Ru-Ru interaction
as compared to the Ru-Pt intermetallic bond, we carried out Ru
growth experiments on pseudomorphic Pt/Ru(0001) monolayer islands
and films, where lattice mismatch effects should play no role. The results
indicate that the differences between the Ru-Pt bond and the
Ru-Ru bond are the dominating effects.
[1] Poster O590
[2] H. Hoster, T. Iwasita, H. Baumgärtner, W. Vielstich; Phys.
Chem. Chem. Phys. 3; 2001, 337.
[3] J. de la Figuera, J.E. Prieto, C. Ocal, R. Miranda; Surf. Sci.
307-309; 1994; 538.
O 89.8 (597) Fri 11:15 MA 041
Atomic ensembles in AuxPt1−x/Pt(111) surface alloys - linking
a quantitative STM study with DFT calculations —
•Andreas Bergbreiter 1 , Harry E. Hoster 1 , Yoshihiro Gohda 2 ,
Axel Groß 2 , and R. Jürgen Behm 1 — 1 Institute of Surface Chemistry
and Catalysis, Ulm University, D-89069 Ulm, Germany —
2 Institute for Theoretical Chemistry, Ulm University; D-89069 Ulm,
Germany
The knowledge of the available adsorption sites on catalyst surfaces
is essential for the understanding of their adsorption and catalytic
properties. 2D alloys, in which intermixing is confined to the surface,
are excellent model systems to study correlations between the
atomic distribution and the adsorption or reaction behavior. Based
on high-resolution STM imaging with chemical contrast, the atomic
distribution in AuxPt1−x/Pt(111) surface alloys is characterized by
a segregation into homoatomic aggregates. This can be rationalized
by an effective repulsion between unlike atoms in the outermost layer,
which is supported also by DFT calculations. Using a 2D lattice gas
Hamiltonian, we are able to simulate the atomic distribution via a
Metropolis Monte-Carlo (MC) algorithm [1]. The effective interaction
parameters for the Hamiltonian were derived from DFT-calculated energies
for different ordered AuxPt1−x/Pt(111) slabs. The measured
surface densities of different atomic ensembles, as counted in the STM
data, and the MC generated distribution agree well, even though only
pairwise interactions are considered in the Hamiltonian.
[1] A. Bergbreiter et al.; Phys. Chem. Chem. Phys. 9, 2007; 5127.
Friday
O 89.9 (589) Fri 11:30 MA 041
Zn/Pd(111) - Adlayer versus Alloy Formation: An Investigation
by Low-Energy Ion Scattering — •Werner Stadlmayr
and Norbert Memmel — Institute of Physical Chemistry, University
of Innsbruck, A-6020 Innsbruck, Austria
The system Zn/Pd(111) has recently attracted attention due to its
relevance for methanol steam reforming. However, conflicting growth
modes were reported in XPS studies [1] and TPD/CO-titration investigations
[2], respectively. While the former work postulates the onset
of alloy formation already slightly above room temperature, the latter
work excludes alloy formation below 600 K. We apply low-energy ion
scattering spectroscopy with monolayer sensitivity to clarify this issue.
[1] A. Bayer, K. Flechtner, R. Denecke, H.P. Steinrueck, K.M. Neyman,
N. Roesch, Surf. Sci. 600, 78 (2006). [2] H. Gabasch, A. Knop-Gericke,
R. Schloegl, S. Penner, B. Jenewein, K. Hayek, B. Kloetzer, J. Phys.
Chem B 110, 11391 (2006).
O 89.10 (42) Fri 11:45 MA 041
Anomalous scaling of Cu-island dynamics on Ag(100) —
•Christopher Zaum and Karina Morgenstern — Institut für
Festkörperphysik, Gottfried Wilhelm Leibniz Universität, Appelstr. 2,
D-30167 Hannover, Germany
We deposited Cu-islands containing 10 to 500 atoms on a clean Ag(100)
surface at room temperature and investigated diffusion and decay of
these islands with a fast scanning tunneling microscope. Islands at
sizes above 80 atoms per island are adsorbed in hollow-sites. Islands
at sizes below 80 atoms per island are adsorbed in bridge-sites. Diffusion
and decay behavior of the hollow-site islands is similar to the
behavior of both Ag-islands on Ag(100) and Cu-islands on Cu(100). In
contrast, the diffusivity and the decay time of the bridge-site islands
are significantly higher than any previously measured values. This
indicates a novel mechanism of diffusion.
O 89.11 (235) Fri 12:00 MA 041
DFT study of epitaxial graphene on Ru(0001) — •bin wang 1 ,
marie-laure bocquet 1 , stefano marchini 2 , sebastian günther 2 ,
and joost wintterlin 2 — 1 Laboratoire de Chimie, Ecole Normale
Supérieure de Lyon, Lyon, France — 2 Department Chemie, Ludwig-
Maximilians-Universität München, München, Germany
Graphene is a flat monolayer of carbon atoms with a honeycomb lattice,
which has been a rising star in materials science for its unique
electronic structure. It can also grow on surfaces if the lattice constants
of the surface and of graphene match. In case of lattice mismatch,
as in the case of metal surfaces like Ru(0001) [1] or Ir(111)
[2], epitaxial growth leads to a moiré structure. We have investigated
epitaxial graphene on a Ru(0001) substrate by means of large-scale
density functional theory (DFT) calculations. We show that, contrary
to other substrates, the graphene electronic structure displays massive
local changes, alternatingly varying between a zero gap and a band
gap of 2 eV. This result is caused by alternating weak and strong contact
areas of the graphene on the Ru surface, correlated with a large
geometric buckling of 1.5 ˚A over the 30 ˚A periodic moiré superstructure.
The mismatching lattice between graphene and the substrate
thus leads to a changing symmetry and electronic structure that both
vary regularly on the nanometer scale. The results are in good agreement
with recent STM experiments [1].
[1] Marchini S., Günther S. & Wintterlin J., Phys. Rev. B. 76,
075429 (2007) [2] N’Diaye A.T., Bleikamp S., Feibelman P. J. &
Michely T., Phys. Rev. Lett. 97, 216501 (2006)
O 89.12 (190) Fri 12:15 MA 041
Incommensurate epitaxy of graphene on Ir(111) — •Alpha
N’Diaye, Johann Coraux, Carsten Busse, and Thomas Michely
— II. Physikalisches Institut, Universität zu Köln
Graphene can epitaxially be grown on Ir(111) by thermal decomposition
of hydrocarbons. Due to the incommensurate lattices of graphene
and the underlying Ir(111) surface, a large supercell moiré with a periodicity
of 25 ˚A emerges. Despite the incommensurability of the two
lattices, graphene grows well ordered on Ir(111) with the dense packed
iridium [1¯10] direction parallel to the [11¯20] of graphene.
We present two ways of preparing graphene on Ir(111). One method
employs preadsorption of ethylene (C2H4) and subsequent thermal decomposition.
This yields a high graphene island. The average island
size can be controlled by temperature, while the coverage is fixed to
about 20 % of the surface area. Based on the analysis of the evolu-

tion of graphene flake size distribution with time and temperature, we
propose the coalescence of graphene flakes as a coarsening mechanism.
The second method is based on continuous exposure of the hot
Ir(111) surface to ethylene. At the chosen temperatures (between
970 K and 1320 K) ethylene decomposes on iridium, but not on
graphene. This process is suited to covering the whole surface with
O 90: Methods: Scanning Probe Techniques II
Friday
one layer of graphene. Nucleation of graphene flakes takes place exclusively
at step edges.
Epitaxial perfection increases with the domain size. The domain
size is crucially dependent on the preparation temperature. At 1320 K
this size exceeds the micrometer scale.
Time: Friday 10:15–12:00 Location: MA 042
O 90.1 (153) Fri 10:15 MA 042
Multiple distance scanning tunneling spectroscopy of organic
layers — •Christian Wagner and Torsten Fritz — Institut für
Angewandte Photophysik, TU-Dresden, George Bähr Str. 1, 01069
Dresden
Scanning tunneling spectroscopy (STS) has been proven to be a powerful
tool to investigate the energetic position of electronic states of
organic molecules adsorbed on conductive surfaces. Since already the
front orbitals are typically situated 1 to 2 eV below and above the
substrate’s Fermi energy, one inherent problem is the need to apply
equivalently high voltages, which might in turn damage the rather sensitive
organic layer. One technique which is able to limit the electric
field strength is the multiple distance STS, where several I- V spectra
are recorded subsequently at a fixed lateral position while increasing
the tip sample distance and voltage range from one spectrum to the
next [1]. In our contribution we want to discuss the applicability of
this method to organic adsorbates on the example of unsubstituted
quaterrylene on Au, a molecule which has a large π-system and a comparably
small HOMO-LUMO gap. We answer the question whether
the multiple distance STS can be combined with a DOS calculation via
the 1D WKB model [2]. As this method allows including the tip sample
distance directly into the evaluation process, one could calculate
an unambiguous sample DOS from the multiple I- V curves.
[1] R. M. Feenstra and J. A. Stroscio, J. Vac. Sci. Technol. B 5,
923 (1987)
[2] C. Wagner et al., Phys. Rev. B 75, 235432 (2007)
O 90.2 (322) Fri 10:30 MA 042
Novel design for luminescence detection in the low temperature
STM — •Klaus Kuhnke, Alexander Kabakchiev, and Klaus
Kern — Max-Planck Institut für Festkörperforschung, Stuttgart
We present a novel design for the detection of luminescence from the
STM tunnel junction. Three optical paths are introduced into an existing
low temperature STM. We employ free optical light propagation
using lenses and mirrors which fully preserve essential information carried
by the light like angular distribution, polarization, and emission
time. Care has been taken to minimize the thermal input through the
light paths into the liquid He cryostat. Possible operation modes are
discussed and demonstrated by preliminary measurements.
O 90.3 (247) Fri 10:45 MA 042
Alignment of molecular energy levels between two biased
metal electrodes — •Nikolai Severin 1 , Hua Liang 1 , Stefan
Hecht 2 , Ragnar Stoll 2 , Klaus Müllen 3 , Igor M. Sokolov 1 , and
Jürgen P. Rabe 1 — 1 Department of Physics, Humboldt University
Berlin, Newtonstr 15, D-12489, Germany — 2 Department of Chemistry,
Humboldt University Berlin, Brook-Taylor-Str. 2, D-12489, Germany
— 3 Max Planck Institute for Polymer Research, Ackermannweg
10, D-55128 Mainz, Germany
Understanding the alignment of molecular energy levels in a monolayer
of molecules located between two biased metal electrodes in a tunneling
contact is of paramount importance in the fast developing field of
molecular electronics. Current rectification in such systems has been
described taking into account a strong dependence of the energy levels
on the relative position of the molecules between the electrodes. However,
to our knowledge such dependence has not been experimentally
examined yet; it is also not self-evident, since also different simple pictures
of energy level alignment may be rationalized. Here we report on
the dependence of the current rectification ratio on the relative position
of different molecules between a highly ordered pyrolytic graphite
substrate and a Pt/Ir scanning tunneling microscope tip immersed in
1-phenyloctane. The variation of the relative position of the molecules
within the gap is achieved by the variation of the tip-surface distance.
We find that the variation of current rectification ratio is substantially
different for different molecules. We propose a simple model which
rationalizes the experimental observations.
O 90.4 (229) Fri 11:00 MA 042
Spectroscopic THz near-field microscope — •Hans-Georg von
Ribbeck 4,1 , Markus Brehm 1 , Daniel van der Weide 2 , Manfred
Helm 3 , Oleksy Drachenko 3 , Stephan Winnerl 3 , and Fritz
Keilmann 1 — 1 Max-Planck-Institut für Biochemie and Center of
Nanoscience, 82152 Martinsried*Max-Planck-Institut für Biochemie
and Center of Nanoscience, Martinsried, Germany — 2 Dept. of Electrical
and Computer Engineering, University of Wisconsin, Madison,
WI 53706-1691, USA — 3 Forschungszentrum Dresden-Rossendorf,
01314 Dresden, Germany — 4 Institut für Angewandte Photophysik,
TU Dresden, Germany
We demonstrate operating a scanning near-field opticalmicroscope of
scattering type (s-SNOM) with broadband THz illumination. A homemade
cantilevered W tip is used in a tapping-mode AFM. The direct
scattering spectrum is obtained and optimized by asynchronous optical
sampling (ASOPS), while near-field scattering is observed by using a
space-domain delay stage and harmonic demodulation of the detector
signal. True near-field interaction is manifested from the distancedependence
of gold samples. Furthermore scattering spectra of differently
doped silicon are presented.
O 90.5 (139) Fri 11:15 MA 042
Studying the spatial distribution of reactant gases above catalytically
active microstructures by means of scanning mass
spectrometry — •Matthias Roos, Stefan Kielbassa, Joachim
Bansmann, and Rolf Juergen Behm — Institute of Surface Chemisty
and Catalysis, Ulm University, D-89069 Ulm, Germany
We present an apparatus for spatially resolving scanning mass spectrometry
for measuring the 3D gas composition above planar catalytically
active surfaces, which enables us to quantitatively determine local
reaction rates, e.g., on individual fields of microstructured model catalysts.
A piezo-electrically driven positioning substage allows control
of the lateral and vertical positioning of the sample under a stationary
capillary probe with micrometer-scale resolution. The diameter of the
capillary orifice, connecting the reaction chamber with a differentially
pumped quadrupole mass spectrometer, varies from 50 to 150 µm, depending
on the used capillary. Measurements can be performed at
pressures in the range of 10 −3 − 10 mbar and temperatures between
room temperature and 450 ◦ C. The CO oxidation reaction on planar Pt
microstructures was used as a test reaction for determining the lateral
resolution of the setup and the spatial distribution of reactant gases.
The CO2 formation and CO consumption above the microstructures
was evaluated as function of lateral displacement and distance between
sample and probe to study the effects of gas transport in the regime
between sample and probe. Furthermore, the feasibility of determining
absolute reaction rates on individual microstructures is demonstrated.
O 90.6 (232) Fri 11:30 MA 042
Smoothing of surfaces by deposition of amorphous PSZ —
•Johanna Röder and Hans-Ulrich Krebs — Institut für Materialphysik,
Universität Göttingen, Friedrich-Hund-Platz 1, D-37077
Göttingen, Germany
Nowadays the investigation of growth characteristics is of great interest,
as for many thin film technologies the surface morphology plays an
important role. Especially for optical, electrical or mechanical properties
it is important to control features like surface and interface roughnesses
during the deposition of thin films. Up to now a lot of experimental
and theoretical work has been done to investigate the roughness
evolution during film growth on a smooth substrate. In this contribu-

tion another approach is chosen and the growth of films deposited on
an already rough surface is investigated. Here smoothing phenomena
may occur depending on the materials used. As rough substrates thin
Ag-films on Si were used, which show distinct island growth and thus
exhibit statistic roughness (rms of 0.9 nm). Smoothing is done by
deposition of an additional amorphous layer of partially stabilized zirconium
oxide (PSZ) with an rms-roughness of 0.1 nm on Si and the
results were discussed with respect to the dominating smoothing mechanisms
that occur during deposition. Therefore stochastic differential
equations were consulted and the scaling behaviour of the roughness
evolution was investigated. All samples were deposited by pulsed laser
deposition and investigated via atomic force microscopy. Power spectral
densities as well as autocorrelation functions were calculated.
O 90.7 (38) Fri 11:45 MA 042
Experimental Observation of Amontonian und Superlubric
Sliding in Extended Nanocontacts — •Dirk Dietzel 1,2 , Tristan
Mönninghoff 1 , U. D. Schwarz 3 , Claudia Ritter 3 , Harald
Fuchs 1,2 , and Andre Schirmeisen 1 — 1 Institute of Physics, University
of Münster, Münster, Germany — 2 INT, Forschungszentrum
Friday
Karlsruhe (FZK), Karlsruhe, Germany — 3 Department of Mechanical
Engineering, Yale University, New Haven, CT, USA
One of the most fundamental questions in nanotribology is the contact
area dependence of frictional forces on the nanometer scale. Unfortunately,
conventional friction force microscopy techniques are limited for
analyzing this problem due to the unknown and ill-defined tip-sample
contact. This limitation can be circumvented by measuring the lateral
force signal during the manipulation of nanoscale particles with a
well-defined, clean contact to the substrate. In our study, the samples
under investigation were metallic islands with diameters between 50-
500 nm grown by thermal evaporation of antimony on highly oriented
pyrolytic graphite (HOPG). Experiments that included the controlled
manipulation of a large number of nanoparticles in ultrahigh vacuum
show two distinct frictional states during particle sliding: While some
particles show finite friction increasing linearly with interface area,
thus reinforcing Amonton’s law at the nanoscale, other particles assume
a state of frictionless or ’superlubric’ sliding. This unexpected
duality of friction states can be explained by contamination effects of
the interface that alter the frictional properties.
O 91: SYEC: Exact-Exchange and Hybrid Functionals Meet Quasiparticle Energy Calculations IV
(FV: O+HL+DF+TT)
Time: Friday 10:15–12:30 Location: A 151
See SYEC for details about the program.
O 92: SYMS: Modern Developments in Multiphysics Materials Simulations III (FV: O+HL+MM)
Time: Friday 10:15–13:00 Location: A 053
See SYMS for details about the program.
O 93: Surface Chemical Reactions
Time: Friday 10:15–13:00 Location: MA 043
O 93.1 (32) Fri 10:15 MA 043
A two-step mechanism for the oxidation of vacancies in
graphene — •Johan M. Carlsson, Felix Hanke, and Matthias
Scheffler — Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg
4-6, D-14195 Berlin
Complete oxidation of graphitic carbon materials leads to combustion
and the formation of CO2, but it has been suggested that partial
oxidation of vacancies on the basal plane can yield catalytically interesting
materials. The characterization of such oxidized graphite in
temperature-programmed desorption (TPD) experiments detected a
surprising amount of CO and significantly less CO2 [1]. This work
aims to clarify the oxidation mechanisms and surface structures under
different experimental conditions. We use density functional calculations
with PBE exchange-correlation to obtain the structural and
energetic properties of oxidized graphene vacancies. To understand
the TPD spectra, reaction barriers and rates for CO and CO2 desorption
are calculated from transition state theory and the nudged
elastic band method. An ab-initio thermodynamics analysis shows a
significant partial pressure-dependence of the oxygen content in vacancies.
This indicates a two step mechanism for the initial oxidation,
by which strongly bound CO-releasing C-O-C and C=O groups saturate
the vacancies under the ultra-high vacuum conditions of TPD
experiments. Atmospheric partial pressures lead to additional oxygen
adsorption into extended groups such as C-O-C=O and O=C-O-C=O,
which in return can desorb as CO2. [1] B. Marchon et al., Carbon 26,
507 (1988).
O 93.2 (169) Fri 10:30 MA 043
Structure and Composition of the TiO2(110) Surface: From
UHV to Realistic Reaction Conditions — •Piotr Kowalski,
Bernd Meyer, and Dominik Marx — Lehrstuhl fuer Theoretische
Chemie, Ruhr-Universitaet, D-44780 Bochum, Germany
Using DFT-based ab-initio calculations in combination with a thermodynamic
formalism we have calculated the relative stability of various
structural models of the nonpolar, mixed-terminated TiO2(110) surface
in contact with a surrounding gas phase at finite temperature and
pressure. Adsorption and desorption of hydrogen atoms and water
molecules, as well as the formation of O vacancies were considered.
Assuming thermodynamic equilibrium between the TiO2 surface and
an oxygen, hydrogen and water containing atmosphere, we constructed
a phase diagram of the lowest free energy surface structures.
For a wide range of temperatures and pressures we find that water
will be adsorbed at the surface. At full monolayer coverage, a molecular
adsorption of water is preferential. The most stable adsorption site
for hydrogen atoms is on-top of the bridging O atoms. Surprisingly,
we find that in thermodynamic equilibrium the bridging O atoms can
not be fully saturated which hydrogen, but only a maximum coverage
of about 0.6 monolayer can be reached. The formation energy for O
vacancies is found to be rather high so that O defects should only form
at extreme oxygen poor conditions.
O 93.3 (106) Fri 10:45 MA 043
Dissociation of oxygen on Ag(100) by electron induced manipulation
— •Carsten Sprodowski, Michael Mehlhorn, and
Karina Morgenstern — Institut für Festkörperphysik, Abteilung
Oberflächen, Leibniz Universität Hannover, Appelstr. 2, 30167 Hannover,
Germany
Low-temperature scanning tunneling microscopy is used to study oxygen
dissociation on Ag(100). Deposition of oxygen on Ag(100) at 80K
leads to small clusters of 1 to 10 molecules. Inelastic electron tunnelling
manipulation is used for the manipulation of these molecules.
Thereby the STM tip is set above them, the feedback loop of the STM
is switched off and a voltage is applied between tip and sample for
exciting the electronical states of the molecules. For small energies
(1500meV with 0.3 nA) the cluster reorders, while above a distinct
energy threshold the electron induced manipulation leads to a dissociation
of the single molecules within the cluster. After manipulation
in some cases dissociated pairs at different distances are found. However
mostly only one atom of the dissociated molecule is observed.

During the dissociation the tunnelling current rises until a plateau of
5nA (3500mV) and remains there for some milliseconds. One possible
explanation is a vertical orientation of the molecules as a metastable
state before dissociating. In addition atomic resolution and a dissociated
cluster during the same scan let us identify the adsorbate places
of the dissociated atoms.
O 93.4 (147) Fri 11:00 MA 043
Modeling NOx Storage Materials: Adsorption and interaction
of NO2 with BaO nanoparticles — •Thorsten Staudt 1 ,
Aine Desikusumastuti 1 , Sandra Gardonio 2 , Silvano Lizzit 2 , Erik
Vesselli 3 , Alessandro Baraldi 3 , and Jörg Libuda 1 — 1 Lehrstuhl
für Physikalische Chemie II, Friedrich-Alexander-Universität Erlangen,
Germany — 2 Sincrotrone Trieste, Italy — 3 Physics Department, University
of Trieste, Italy
In order to obtain a fundamental understanding of the underlying processes
of NOx storage and reduction (NSR) catalysts we have studied
the reaction of NO2 with BaO nanoparticles supported on an ordered
Al2O3 thin film on NiAl(110). We use a combination of high-resolution
XPS obtained at the synchrotron radiation facility ELETTRA in Triest,
vibrational spectroscopy (IRAS) and molecular beam (MB) techniques.
Various nitrogen-oxo surface intermediates are identified by
XPS and IRAS and the reaction behaviour shows a strong temperature
dependence. At 300 K surface nitrites are formed and the conversion
into surface nitrates occurs only at a very low rate. These reactions
are only limited to the surface of the BaO particles. At 500 K the
conversion into nitrates is more facile and nitrate formation proceeds
beyond the particle surface, which yields to the formation of ionic nitrates.
Decomposition experiments exhibit that the stability of the barium
nitrate nanoparticles is strongly depended on the particle size [1]. The
larger particles are stable up to a temperature of 650 K, whereas the
surface related species on small particles decompose at a temperature
of 350-450 K. [1] A. Desikusumastuti et al., Catal. Lett., in press
O 93.5 (194) Fri 11:15 MA 043
Internal exoemission in K/p-Si(001) Schottky diodes —
•Kornelia Huba, David Krix, and Hermann Nienhaus — Fachbereich
Physik, Universität Duisburg-Essen, Duisburg
Ultrathin potassium films of typically 1 nm thickness were deposited
on hydrogen terminated p-Si(001) surfaces at low temperatures. Using
a softly approached gold ball, an electric contact to the thin film was
formed and current/voltage characteristics were recorded as a function
of the substrate temperature. The K/p-Si contacts are Schottky
diodes with low reverse currents of below 10 pA. Applying thermionic
emission theory a homogeneous Schottky barrier height of 0.56 eV
was determined. Oxidation of the K films by exposures to molecular
oxygen leads to chemically induced electronic excitations. They were
studied by measuring the internal exoemission currents, i.e. chemicurrents,
in the diodes. The chemicurrent transients exhibit a maximum
and less significant additional features after longer exposures. In addition
to the current measurements, the oxygen uptake as well as the K
film thickness and morphology were characterized by Auger electron
spectroscopy and Kelvin probe measurements.
O 93.6 (195) Fri 11:30 MA 043
Non-adiabatic Phenomena during Oxidation of K/Pd-Thin-
Films on Silicon — •David Krix, Kornelia Huba, and Hermann
Nienhaus — Fachbereich Physik, Universität Duisburg-Essen, Duisburg
Large area, nanometer thick Pd films were grown on silicon substrates.
On H-terminated, Boron doped H:p-Si(001) surfaces a Schottky barrier
height of Φp = 0.38 eV could be extracted from I-V-measurements using
thermionic emission theory. With nearly ideal behavior the diodes
show reverse currents of below 1 nA at low temperatures of 120 K. Applying
small amounts of K to the surface makes it highly sensitive to
oxidizing gases. Similar to exoemission experiments, hot charge carriers
are produced during oxygen exposure which can be measured as a
chemicurrent, i.e. internal exoemission, flowing in a circuit involving
the Schottky diode as a sensor.
Sensor parameters like K coverage and Pd film thickness were modified
to study their influence on the time resolved chemicurrent transients.
The total chemicurrent yield, i.e. the total amount of charge
detected, was found to be exponentially attenuated with increasing
Pd thickness at a constant value of λ ≈ 1.1 nm. Auger emission spectroscopy
and Kelvin probe measurements were used to compare the
evolution of the chemicurrents to the oxygen uptake of the samples.
Friday
O 93.7 (285) Fri 11:45 MA 043
Particle size dependence of adsorption state and photodesorption
of NO on AgNPs on thin alumina film —
•Daniel Mulugeta 1 , Ki Hyun Kim 1 , Kazuo Watanabe 1 , Dietrich
Menzel 1,2 , and Hans-Joachim Freund 1 — 1 Fritz-Haber-
Institute der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin
— 2 Physik-Department E20, Technische Universität München, 85747
Garching
We report on the particle size dependence of adsorption state and
photodesorption (PD) of NO adsorbed on Ag nanoparticles (AgNPs)
with average diameter (d) between 2.5 and 12 nm, by using temperature
programmed desorption (TPD) and mass selected time-of-flight
(MS-TOF) measurements. NO adsorbed at 75 K forms dimers which
partly desorb and partly dissociate to form 2NO and N2O+O when
heated. In TPD of NO shifts to higher peak temperature are found
with increasing d. The PD cross section of NO at 2.3 and 4.7 eV
in p-polarization increases monotonously when the particle size is reduced
(∼2 times for d=2.5 nm). At 3.5 eV in p-polarization, the PD
cross section of NO increases rapidly as d decreases up to d=5 nm
(∼9 times) and then decreases as d is further reduced. At 2.3 and 3.5
eV the translational temperature of photodesorbing NO (Tt=∼700 K)
does not change significantly with varying d. This indicates that the
plasmon does not change the desorption dynamics of NO. However,
at 4.7 eV a dramatic increase of Tt (up to ∼1250 K) is observed for
very small d (≤ 5 nm). We interpret these changes in terms of the size
dependences of adsorption energy, plasmon strength, decay paths, and
confinement.
O 93.8 (560) Fri 12:00 MA 043
Chemicurrent studies on bimetallic surfaces — •Beate
Schindler, Eckart Hasselbrink, and Detlef Diesing — Fachbereich
Chemie and Centre for Nanointegration (CeNIDE), Universität
Duisburg-Essen, D-45117 Essen, Germany
Chemical reactions on metal surfaces like adsorption and desorption
reactions may dissipate their excess energy to substrate and adsorbate
vibrations or to electronic degrees of freedom. This means excitation of
e-h pairs directly at the surface. If the energy of the excited electrons is
larger than the metal work function, the excess energy could be measured
by light emission. Electronic surface excitations with smaller
energies can be detected as internal currents in thin film tunnel or
Schottky devices. We use tantalum–tantalum oxide–top metal tunnel
junctions. As top metal 5 nm thick Pt films or 12 nm thick Au films
were used. Both enable a ballistic transport of excited electrons (holes)
with excess energies up to 1 eV from the surface to the oxide interface.
The excited carriers are then detected in the tantalum backelectrode
as a tunnel current. We compare the tunnel current traces induced by
bunches of hydrogen atoms (5 · 10 15 atoms in 20 sec) on the Au and
Pt surfaces. For weak chemisorption systems constant chemicurrents
are typical, which scale linearly with the atom flux jH. For strong
chemisorption systems like Pt-H exponentially decaying chemicurrent
traces (e −j H ·t ) are typical. Evaporating Au on top of Pt one can
monitor the change of the chemicurrent trace from an exponentially
decreasing type to a constant current type. This clearly shows that
the adsorbate-surface chemistry determines the e-h pair excitation.
O 93.9 (577) Fri 12:15 MA 043
Investigating the binding sites of solvated electrons in polar
layers adsorbed on Cu(111) — •Michael Meyer, Julia Stähler,
Uwe Bovensiepen, and Martin Wolf — Freie Universität Berlin,
Arnimallee 14, 14195 Berlin
Electron solvation is a well known phenomena in polar environments
like NH3 and D2O, i.e., the localization and energetic stabilization
of an excess electron due to the reorientation of the surrounding
molecules. The properties and dynamics of solvated electrons constitute
an active field of research. Here we present a surface science
approach to determine the solvation site of excess electrons at the interface
between polar molecular layers and a metallic substrate. We
investigate the localization of excess electrons in amorphous D2O clusters
and layers as well as amorphous ammonia layers, which are condensed
on a Cu(111) substrate. Using two-photon photoemission spectroscopy(2PPE)
we excite and probe excess electrons by UV and VIS
laser pulses, respectively. For surface bound electrons adsorption of Xe
leads to a change in binding energy due to a change of the dielectric
environment which is directly measured by 2PPE. A transition from
bulk bound solvated electrons to surface bound ones is found to occur
at coverages of ≈ 3 molecular layers where the continuous ice layers

eak up into laterally separated ice clusters. Remarkably the excess
electrons in NH3-layers are always bound on the surface for the investigated
thickness range of 2 to 22 layers. Possible scenarios regarding
injection and detection probabilities as well as site configurations will
be discussed.
O 93.10 (141) Fri 12:30 MA 043
Electronic valence band structure of V2O5 — •Torsten Stemmler,
Maximilian Kauert, Helmut Dwelk, and Recardo Manzke —
Institut für Physik, Humboldt-Universität zu Berlin, Newtonstr. 15,
12489 Berlin
We will present high-resolution ARPES measurements of V2O5 single
crystals carried out with He I resonance lamp and synchrotron radiation.
The obtained experimentally band structure will be compared
with calculations, e.g.[1] and [2]. By varying the excitation energy we
have utilized the ARPES techniques to study also the time and photon
flux dependence of valence band changes. This problem of degradation
of the surface due to the high reactivity will be discussed referring to
the previous experimental work, e.g. [3] and [4].
[1] A.Chakrabarti et al., Phys. Rev. B59, 10583 (1999)
[2] V.Eyert et al., Phys. Rev. B57, 12727 (1998)
[3] S.Shin, Phys. Rev. B41, 4993 (1990
[4] Q.Wu, Chem. Phys. Let. 430, 309 (2006)
O 93.11 (321) Fri 12:45 MA 043
Friday
STM-induced Switching of Hydrogen on a Silicon(100) Surface:
An Open-System Density Matrix Study — •Karl Zenichowski,
Tillmann Klamroth, and Peter Saalfrank — Theoretical
Chemistry, Institute of Chemistry, University of Potsdam, Germany
STM (scanning tunneling microscope) techniques offer the possibility
to reversibly switch a hydrogen atom between two stable conformations
on a silicon(100) surface dimer at room temperature [1].
We study the switching dynamics of a hydrogen atom, using an
open-system density matrix formalism. The Liouville-von Neumann
equation in Lindblad form [2] is solved. Vibrational upward rates are
calculated within the framework of first order perturbation theory, including
expressions for resonant scattering and dipole coupling with
tunneling electrons [3,4]. Vibrational deexcitation is treated by applying
harmonic selection rules and scaling laws. Temperature is included
via the principle of detailed balance.
The switching process in the high current regime is found to be
governed by vibrational ”ladder climbing” and subsequent tunneling
in the electronic ground state. The influence of current, bias voltage,
isotope mass, electric field, and dissipation strength is examined [5].
[1] U.J. Quaade et al., Surf. Sci. 415, L1037 (1998). [2] G. Lindblad,
Commun. Math. Phys. 48, 119 (1976). [3] B.N.J. Persson, J.E.
Demuth, Solid State Commun. 57, 769 (1986). [4] B.N.J. Persson, A.
Baratoff, Phys. Rev. Lett. 59, 339 (1987). [5] K. Zenichowski, T.
Klamroth, P. Saalfrank, in preparation.
O 94: Methods: Other Experimental Techniques II
Time: Friday 12:00–13:15 Location: MA 141
O 94.1 (401) Fri 12:00 MA 141
In situ Präparation von kristallographisch orientierten Spitzen
in der Rasterkraftmikroskopie — •Thorsten Wutscher,
Sebastian Gritschneder und Franz J. Giessibl — Universität Regensburg,
Institut für Experimentelle und Angewandte Physik, 93 040
Regensburg
Die atomare Konfiguration und die chemische Identität der Spitze eines
Kraftmikroskops ist von zentraler Bedeutung für die Abstandsund
Winkelabhängigkeit der Kraft zwischen Spitze und Probe [1, 2].
Bisher wurden die Spitzen mittels eines elektrischen Feldes, einer Kollision
mit der Probenoberfläche oder durch Ionenbeschuss präpariert.
Hier wird versucht in situ eine saubere und kristallographisch wohldefinierte
Spitze aus leicht spaltbaren Materialien herzustellen. Für Nickeloxid,
ein Material mit Kochsalzstruktur, wurden drei unterschiedliche
Spaltgeometrien entwickelt. Die mit einer Wafersäge bearbeiteten
Nickeloxidstücke werden als Balken und Würfel auf einem stabilen
Quarzfederbalken (qPlus Sensor) kristallographisch orientiert fixiert.
Eine auf gesägte Sollbruchstellen wirkende Kraft leitet das Spalten
in einer oder mehrerer Ebenen ein. Die Eignung der dadurch entstehenden
Spitzen für hochauflösende Kraftmikroskopie wird durch erste
Resultate atomarer Auflösung auf NiO (0 0 1) demonstriert.
[1] Yoshiaki Sugimoto, Pablo Pou, Masayuki Abe, Pavel Jelinek, Rubén
Pérez, Seizo Morita and Óscar Custance, Nature, Vol. 446, 64 - 67
(2007)
[2] Stefan Hembacher, Franz J. Giessibl, Jochen Mannhart, Science,
Vol. 305, 380 - 383 (2004)
O 94.2 (652) Fri 12:15 MA 141
Scanning of the near-field thermal heat transfer — •Robert
Berganski, Uli Wischnath, and Achim Kittel — Energy and Semiconductor
Research Laboratory - University of Oldenburg
The heat transfer is measured by means of a scanning near-field thermal
microscope based on a commercial scanning tunnelling microscope
(STM). Hereby a miniaturized coaxial thermocouple is kept at a constant
distance above the surface by using the constant current mode
of the STM while the change of the temperature at the tip is recorded.
Thereby the heat transfer and the sample topography are measured
at the same time and, thus, the heat transfer can be correlated to the
surface morphology. The investigated heat transfer relies on evanescent
modes of the thermal transfer between the tip at room temperature
and the sample at about 110K. All other interfering heat transfer
mechanisms are excluded by using ultra high vacuum conditions. In
the present contribution the focus lies on the material dependence of
these evanescent modes which are reaching a few nano-meter into the
vacuum. By varying the material of the sample surface the influence
of the dielectric properties of the material and the morphology of the
surface are studied.
O 94.3 (135) Fri 12:30 MA 141
The mono-cantilever method of performing multi-contact
measurements of surface conductivity — •Justin Wells 1 ,
Karsten Hardrup 1 , Fei Song 1,2 , Jesper Kallehauge 1 , Lauge
Gammelgaard 3 , Shi ning Bao 2 , and Philip Hofmann 1 — 1 ISA and
iNano, University of Aarhus, 8000 Aarhus C, Denmark — 2 Department
of Physics, Zhejiang University, P.R. China — 3 MIC, Technical University
of Denmark, 2800 Kgs. Lyngby, Denmark
Despite the paramount importance of conductance measurements to
bulk solid state physics, surface conductance is very poorly understood.
A prominent example for the sorry state of the field is the
Si(111)(7 × 7) reconstruction. Several claims to measure the surface
conductance have been made but these span 5 orders of magnitude.
In this work, we present a multi-contact mono-cantilever probe,
which differs from earlier monolithic 4-point probes by that fact that
all contacts are mounted on a single cantilever. In this approach, the
minimum spacing can be reduced to the order of 250 nm, whilst keeping
the cantilever size in the micrometer range (and thus it is strong
and easily visible).
As an example, we will present measurements made on Bi(111). In
contrast to the semimetallic bulk, this surfaces support metallic surface
states, forming a quasi two-dimensional metal. Using measurements
with different probe spacings, we are able to estimate an upper limit
of the conductance through these surface states.
O 94.4 (351) Fri 12:45 MA 141
XRR investigations of II-VI and III-nitrid based DBRstructures,
multilayers and superlattices. — •Radowan Hildebrand,
Thomas Schmidt, Ardalan Zargham, Moritz Speckmann,
Carsten Kruse, Detlef Hommel, and Jens Falta — Institute of
Solid State Physics, University of Bremen, Germany
Thin layers, especially distributed bragg reflectors (DBR), are important
components in vertical cavity surface emitting laser (VCSEL)structures.
The investigation of AlN/InGaN and MgS/ZnCdSe DBR
structures with the method of x-ray reflection (XRR) enables the determination
of electron density, multilayer thickness and roughness of
the interfaces. Reducing the roughness is of peculiar interest to achieve
high reflective DBRs.
O 94.5 (471) Fri 13:00 MA 141

Stereographic intensity maps of elastically backscattered
electrons in directional elastic peak electron spectroscopy —
•Irek Morawski and Marek Nowicki — Institute of Experimental
Physics, University of Wroc̷law, pl. M. Borna 9, PL 50-204 Wroc̷law,
Poland
The full hemispherical intensities of elastically backscattered electrons
from Au(111) were measured using directional elastic peak electron
spectroscopy (DEPES) [1] at primary electron beam energies in the
range from 0.5 till 2.0 keV. The enhancement of recorded intensities
is observed when the primary electrons strike the crystalline sample
along the close packed rows of atoms. Experimental stereographic
intensity maps reveal a three-fold symmetry of the substrate, which
O 95: Special Talk Theodore Postol
Friday
gives straightforward identification of the sample crystalline structure.
Theoretical intensity distributions were obtained using multiple scattering
(MS) calculations [2]. In calculations different scattering orders
were taken into account. An R-factor analysis of experimental and
theoretical patterns reveals a significant role of the higher scattering
order leading to the defocusing effect along the closest-packed rows of
atoms. A contribution of particular sample layers to the recorded signal
as well as application of the total electron mean free path instead
of so far used values of the inelastic mean free path in calculated MS
intensities are discussed.
[1] S. Mróz, M. Nowicki, Surf. Sci. 297 (1993) 66.
[2] I. Morawski, M. Nowicki, Phys. Rev. B 75 (2007) 155412
Time: Friday 13:15–14:00 Location: H 0105
The US Missile Defense and Its European Components - Implications for European Security
O 96: Invited Talk Klaus Wandelt
Time: Friday 14:00–14:45 Location: HE 101
Invited Talk O 96.1 (133) Fri 14:00 HE 101
Electrochemical Surface Science — •Klaus Wandelt — Institut
für Physikalische und Theoretische Chemie, Universität Bonn, Wegelerstr.
12, 53115 Bonn
An important trend in surface science is to expand the investigations to
more complex surfaces in UHV and/or surfaces in more realistic ambients
like gas atmospheres or liquids. Based on a combination of in-situ
(cyclic voltametry, electrochemical scanning tunneling microscopy, in-
O 97: Invited Talk Charles Campbell
frared spectroscopy and X-ray diffraction) as well as ex-situ methods
(low energy electron diffraction, synchrotron X-ray- and Auger electron
spectroscopy, ion scattering) various processes at single crystal copper
electrode surfaces in contact with electrolytic solutions have been investigated
and will be discussed in this presentation. Specific examples
are ion-induced surface reconstruction, thin film growth, surface
compound formation, and selfassembly of organic layers. Whenever
possible comparison to relevant systems in UHV will be made.
Time: Friday 14:45–15:30 Location: HE 101
Invited Talk O 97.1 (7) Fri 14:45 HE 101
Energetics of Metal Atom Adsorption on Surfaces of Oxides
and Polymers — •Charles Campbell — University of Washington,
Seattle, WA, USA
Heats of adsorption of metal atoms have been measured calorimetrically
on clean MgO(100), CeO2(111) and polymer surfaces. These directly
probe the thermodynamics that control molecular beam epitaxy
(MBE), particle nucleation and film growth. A pulse of metal vapor
from a chopped atomic beam adsorbs onto an ultrathin sample’s surface,
causing a transient temperature rise detected by a pyroelectric
polymer ribbon touching the sample. The differential heat of adsorp-
tion and sticking probability are measured versus coverage up through
multilayer coverages. Complimentary information on the film morphology
and electronic structure is provided by ion scattering spectroscopy,
AES, work function measurements and DFT calculations. The data
provide the metal-substrate bond energy (BE), the adhesion energy
and the interfacial energy. Defect sites are important strong-binding
nucleation sites for metal cluster growth, and these can be produced
and controlled by electron and ion bombardment. For polymer surfaces,
the metal atoms have two main reaction pathways in dynamic
competition: diffusion below the surface, where they bind strongly to
reactive functional groups, and nucleation of 3D metal clusters on the
surface.